data_1ysy_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 1ysy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.346 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.2 65.65 1.45 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.451 1.9 . . . . 0.0 110.392 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -92.2 104.03 16.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.598 1.959 . . . . 0.0 109.489 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.373 3.2 p30 44.93 104.22 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 130.217 3.407 . . . . 0.0 114.244 -178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -147.07 24.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 130.147 3.379 . . . . 0.0 106.042 -163.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 72.46 -57.97 0.61 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 131.202 3.801 . . . . 0.0 111.106 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 m -119.96 45.27 2.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.698 1.599 . . . . 0.0 112.24 -161.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.4 m -47.32 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.342 1.857 . . . . 0.0 112.238 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.79 37.38 2.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.103 0.961 . . . . 0.0 110.563 -162.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -122.36 -49.94 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.255 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.275 34.8 m -49.27 -51.99 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -168.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.35 -27.9 59.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.058 -1.026 . . . . 0.0 111.799 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.23 -33.67 76.28 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 t -77.28 -2.8 36.63 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.77 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -121.14 -62.54 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.549 1.522 . . . . 0.0 110.785 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -76.0 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.881 -1.137 . . . . 0.0 111.426 -167.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.76 -11.67 1.05 Allowed 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -35.18 31.94 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.019 173.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -35.02 0.49 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.81 -1.091 . . . . 0.0 113.652 171.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -65.27 -73.54 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.138 1.336 . . . . 0.0 110.234 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 p -92.23 125.05 44.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 126.71 2.004 . . . . 0.0 106.131 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.8 -76.17 0.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -165.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -171.94 154.31 3.47 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.281 1.432 . . . . 0.0 107.15 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.9 m 35.67 86.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.404 2.282 . . . . 0.0 114.175 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.34 110.11 10.34 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 163.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -51.86 -32.57 32.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.451 1.023 . . . . 0.0 110.871 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -50.5 -63.39 1.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.439 1.496 . . . . 0.0 109.754 170.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -39.53 94.19 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.567 -1.333 . . . . 0.0 111.564 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.0 -27.7 67.1 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.155 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -18.75 35.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.669 1.588 . . . . 0.0 112.802 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -110.74 -28.99 8.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.142 1.377 . . . . 0.0 111.877 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -25.62 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 119.452 1.024 . . . . 0.0 111.16 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.196 0.907 . . . . 0.0 109.149 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.26 73.48 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.065 -1.022 . . . . 0.0 110.648 -170.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -32.47 38.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.025 -0.988 . . . . 0.0 112.729 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -66.74 -35.79 80.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.447 1.021 . . . . 0.0 110.23 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.53 -41.52 24.03 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.303 1.441 . . . . 0.0 108.172 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mm -49.29 -24.29 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.427 2.291 . . . . 0.0 113.401 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -31.54 67.58 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 122.866 2.575 . . . . 0.0 113.41 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 57.6 mt -107.54 54.73 0.66 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.15 0.98 . . . . 0.0 108.631 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 -40.83 12.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.453 0.471 . . . . 0.0 111.432 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -153.32 -74.23 0.13 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -163.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -151.1 161.17 43.23 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -55.04 -30.19 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.088 1.355 . . . . 0.0 112.651 -168.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -68.1 -77.46 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.801 0.84 . . . . 0.0 108.875 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.3 -24.14 67.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 112.607 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.47 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.396 1.878 . . . . 0.0 111.526 165.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.53 53.33 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.011 0.524 . . . . 0.0 110.91 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.24 -54.09 35.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.469 1.108 . . . . 0.0 110.413 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -21.89 63.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 122.073 -0.392 . . . . 0.0 110.039 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -29.73 70.87 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.784 -1.198 . . . . 0.0 109.23 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.73 -33.07 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.887 1.675 . . . . 0.0 108.984 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.6 t -52.72 -67.57 0.24 Allowed 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.777 1.231 . . . . 0.0 111.323 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -35.46 -61.56 0.44 Allowed 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.941 1.697 . . . . 0.0 112.114 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.21 -29.96 70.13 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -72.18 -35.1 68.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.585 0.629 . . . . 0.0 110.862 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -48.03 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.228 1.011 . . . . 0.0 109.387 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -27.63 65.91 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.497 2.319 . . . . 0.0 112.437 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.95 -21.88 66.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.985 -1.072 . . . . 0.0 109.777 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 m -57.23 -65.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.244 1.017 . . . . 0.0 110.57 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.41 -31.6 67.86 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.433 1.015 . . . . 0.0 110.855 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.52 -23.58 67.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.296 0.638 . . . . 0.0 111.493 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.17 14.48 0.09 OUTLIER Glycine 0 CA--C 1.532 1.122 0 CA-C-O 117.819 -1.545 . . . . 0.0 114.966 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.75 148.22 41.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.967 2.384 . . . . 0.0 112.273 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -120.15 -44.08 2.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 125.639 1.576 . . . . 0.0 108.506 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.51 90.44 3.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -140.12 10.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 O-C-N 121.606 -0.684 . . . . 0.0 111.31 156.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -81.35 -80.33 0.15 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.235 -1.386 . . . . 0.0 109.004 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.37 -61.78 2.11 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -163.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.56 0.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.544 2.338 . . . . 0.0 115.586 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.5 -27.34 6.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 116.582 -1.675 . . . . 0.0 108.353 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.24 -21.6 0.29 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 127.318 2.247 . . . . 0.0 113.588 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.48 -6.89 1.78 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 169.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -120.37 -2.43 10.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.238 1.415 . . . . 0.0 110.499 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.24 -68.28 0.93 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.982 1.713 . . . . 0.0 107.125 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.67 -35.89 79.69 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 120.614 -1.304 . . . . 0.0 110.857 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -90.69 6.65 43.13 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.757 -1.839 . . . . 0.0 111.382 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -74.58 -54.51 7.33 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.265 -1.522 . . . . 0.0 109.587 156.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.1 -4.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -154.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.273 15.0 p 52.16 27.01 4.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.393 1.877 . . . . 0.0 111.935 -166.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.55 -39.11 0.08 Allowed 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.253 -161.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.244 0.802 0 C-N-CA 127.007 2.123 . . . . 0.0 112.4 -148.182 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.91 134.42 34.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.101 1.76 . . . . 0.0 106.553 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -69.91 -167.16 0.14 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.548 0.613 . . . . 0.0 111.283 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -61.84 132.63 53.7 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 149.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.28 18.6 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 130.134 3.374 . . . . 0.0 105.156 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? 74.84 -48.12 0.64 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 131.569 3.948 . . . . 0.0 110.459 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.6 p -90.4 63.66 5.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.999 -173.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 p -60.42 -82.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.928 0.785 . . . . 0.0 110.261 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -121.92 38.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.973 -1.079 . . . . 0.0 110.526 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 16.3 m -117.6 -26.33 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.509 -163.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.256 1.2 m -74.16 -33.82 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.043 1.292 . . . . 0.0 110.352 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.77 -30.01 67.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -3.98 8.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.762 2.025 . . . . 0.0 112.092 168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -119.58 -1.6 10.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.831 2.052 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -112.83 -56.86 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 125.105 1.362 . . . . 0.0 110.758 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -69.8 0.8 Allowed 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.355 -0.841 . . . . 0.0 109.147 -155.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -26.44 0.55 Allowed 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 125.504 1.522 . . . . 0.0 113.74 162.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.34 -32.91 5.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.14 1.776 . . . . 0.0 111.407 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -35.28 0.54 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.127 0.971 . . . . 0.0 113.574 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.94 -73.84 0.44 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -87.96 54.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.501 1.52 . . . . 0.0 108.581 173.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.6 60.56 1.67 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.156 -0.965 . . . . 0.0 110.649 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -152.94 138.06 17.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.372 -0.83 . . . . 0.0 109.639 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -77.12 127.1 32.05 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.992 0.917 . . . . 0.0 108.982 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 t -165.03 141.58 5.74 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.83 -32.98 69.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.331 0.968 . . . . 0.0 111.042 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tt -44.76 -74.36 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.273 1.829 . . . . 0.0 109.931 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.02 73.1 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.083 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.25 -16.57 60.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.275 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -25.04 67.95 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.701 1.592 . . . . 0.0 111.922 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HG ' ' HB2' ' A' ' 61' ' ' LEU . 84.0 m -101.11 -29.65 12.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 111.024 171.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -25.08 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 118.915 -1.114 . . . . 0.0 111.013 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -61.99 -58.82 6.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.737 1.608 . . . . 0.0 109.394 166.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -32.17 70.01 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.665 1.186 . . . . 0.0 111.397 -170.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -30.67 56.81 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.91 -1.119 . . . . 0.0 112.477 176.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -14.88 61.43 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.581 1.552 . . . . 0.0 112.2 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -54.23 5.53 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 162.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -46.47 -33.4 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 115.158 -2.354 . . . . 0.0 113.557 -170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.11 -39.01 2.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 122.994 2.634 . . . . 0.0 112.842 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -111.59 54.81 0.68 Allowed 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.7 5.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -140.44 -54.22 0.51 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.777 0.831 . . . . 0.0 111.058 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -149.42 157.86 43.67 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 129.028 2.931 . . . . 0.0 103.665 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.3 m -51.14 -43.42 61.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.999 1.32 . . . . 0.0 111.515 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 m -74.3 -65.17 0.88 Allowed 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.373 1.045 . . . . 0.0 108.999 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.9 -23.69 54.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.217 1.807 . . . . 0.0 114.139 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.09 -70.27 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.814 2.446 . . . . 0.0 110.112 166.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.62 -47.01 14.77 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.433 1.093 . . . . 0.0 110.892 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -49.89 -53.47 25.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.836 1.654 . . . . 0.0 109.745 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.25 -31.55 72.77 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.198 -0.939 . . . . 0.0 112.158 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -35.15 75.67 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.617 1.567 . . . . 0.0 113.161 173.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -73.85 -32.72 35.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 123.946 0.898 . . . . 0.0 110.295 168.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -68.42 -46.76 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -48.99 24.92 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 118.129 -0.938 . . . . 0.0 112.073 173.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.26 14.8 mt -64.5 -33.57 76.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.532 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -40.55 93.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.715 1.143 . . . . 0.0 113.658 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.7 -42.43 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.789 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' HB2' ' HG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -57.3 -27.94 62.62 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.906 1.682 . . . . 0.0 110.863 175.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -53.67 -14.12 0.82 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.273 174.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -33.66 -55.07 0.45 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 128.929 2.892 . . . . 0.0 111.098 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -85.21 -52.28 6.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.075 0.95 . . . . 0.0 110.643 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 7.1 mm100 -53.34 -27.08 21.57 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.337 1.055 . . . . 0.0 112.793 -168.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.3 31.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 CA-C-O 117.92 -1.489 . . . . 0.0 115.734 -169.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.28 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.114 1.957 . . . . 0.0 114.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.299 10.3 m 38.78 -62.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.648 1 C-N-CA 132.271 4.228 . . . . 0.0 112.986 -144.286 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.3 53.86 0.4 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.329 2.252 . . . . 0.0 110.136 168.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tp -141.62 15.29 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 O-C-N 120.117 -1.614 . . . . 0.0 111.894 170.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.33 -71.73 0.73 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.587 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -56.27 6.62 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.553 1.07 . . . . 0.0 111.105 -171.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.78 1.56 0.25 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.8 t -112.52 -15.76 13.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.742 -2.075 . . . . 0.0 109.328 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -21.92 43.81 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 122.159 2.254 . . . . 0.0 112.118 -167.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -55.74 -6.72 0.23 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 166.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttp -114.23 -17.39 11.87 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 121.137 1.79 . . . . 0.0 110.131 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.92 -73.42 0.65 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.459 1.903 . . . . 0.0 108.106 -171.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.47 -47.03 63.28 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.011 1.324 . . . . 0.0 110.245 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.68 -12.24 60.01 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 120.435 -1.416 . . . . 0.0 112.881 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -65.9 -50.46 64.38 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.415 0.552 . . . . 0.0 110.304 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.73 1.18 0.16 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.428 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.251 23.2 p 49.39 28.45 2.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.86 1.264 . . . . 0.0 112.594 -166.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.72 -41.99 0.14 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.095 1.358 . . . . 0.0 111.207 -168.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.024 1.73 . . . . 0.0 109.297 170.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.31 36.78 0.59 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -71.88 -36.07 69.96 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 120.911 -1.118 . . . . 0.0 113.78 -157.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -153.79 110.27 3.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 167.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.37 17.05 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.379 2.672 . . . . 0.0 106.777 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt 61.83 92.69 0.05 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 129.346 3.058 . . . . 0.0 109.055 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m 102.93 -11.29 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.398 3.079 . . . . 0.0 114.037 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -37.43 -57.4 0.92 Allowed 'General case' 0 C--O 1.242 0.703 0 C-N-CA 126.056 1.742 . . . . 0.0 112.725 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -100.72 35.9 2.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.265 -0.897 . . . . 0.0 110.963 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.65 -31.82 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.225 1.41 . . . . 0.0 111.605 170.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.22 -43.06 75.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.531 0.681 . . . . 0.0 112.641 -171.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.52 -28.0 56.2 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 120.965 -1.085 . . . . 0.0 110.425 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.58 -10.23 50.11 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 126.038 1.735 . . . . 0.0 111.551 170.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -117.32 0.49 12.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.263 1.392 . . . . 0.0 112.712 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.06 -50.18 4.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 O-C-N 121.232 -0.917 . . . . 0.0 110.682 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.97 -69.78 0.67 Allowed 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.408 1.004 . . . . 0.0 109.873 -171.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -24.14 19.76 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -44.15 -45.36 8.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.396 1.878 . . . . 0.0 111.221 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -134.97 -38.06 0.79 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.296 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -71.41 -76.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.021 1.282 . . . . 0.0 109.386 -174.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.3 51.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.853 0.835 . . . . 0.0 109.617 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 88.12 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 169.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -155.3 168.82 25.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.827 1.251 . . . . 0.0 108.971 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.2 m -76.23 -174.85 2.94 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.085 0.554 . . . . 0.0 109.642 162.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t 95.54 122.36 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 C-N-CA 129.738 3.215 . . . . 0.0 109.628 172.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.65 0.48 5.43 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 117.803 -1.094 . . . . 0.0 111.659 167.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.55 -55.42 25.76 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 120.858 1.663 . . . . 0.0 109.222 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.78 -45.65 82.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.048 0.539 . . . . 0.0 111.612 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.28 68.99 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -20.17 61.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.614 1.566 . . . . 0.0 112.579 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.67 -26.34 12.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.201 1.401 . . . . 0.0 111.54 172.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -41.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.133 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -50.04 -52.39 34.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.499 1.499 . . . . 0.0 110.566 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.4 -28.93 69.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 120.829 -1.169 . . . . 0.0 111.987 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -37.84 64.16 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.439 1.472 . . . . 0.0 111.121 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -14.16 60.83 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 118.266 0.484 . . . . 0.0 111.458 -174.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -82.58 -43.6 16.86 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.756 1.222 . . . . 0.0 109.189 167.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.16 -20.96 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 116.216 -1.849 . . . . 0.0 113.185 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -18.38 11.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 123.411 2.823 . . . . 0.0 114.486 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.97 58.96 0.8 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.75 1.34 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? 67.81 -68.88 0.15 Allowed 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.492 1.917 . . . . 0.0 111.221 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -112.38 -168.03 1.26 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.948 2.099 . . . . 0.0 108.545 -167.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -94.59 -36.8 11.65 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 162.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.5 m -70.19 -72.49 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.015 -171.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.71 -25.47 66.44 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.507 0.594 . . . . 0.0 111.099 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.45 -76.43 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.877 2.471 . . . . 0.0 111.08 167.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.85 61.24 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.269 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 71.2 mt-10 -59.14 -46.05 89.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.962 1.705 . . . . 0.0 110.845 176.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.03 -36.35 70.35 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.561 1.073 . . . . 0.0 109.504 170.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.39 57.04 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 109.445 -172.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.4 m -83.93 -19.27 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.634 1.173 . . . . 0.0 110.734 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.417 ' CA ' HE22 ' A' ' 85' ' ' GLN . 34.4 t -73.16 -55.79 5.99 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 111.782 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -53.03 4.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.941 1.296 . . . . 0.0 110.972 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.75 -22.85 66.04 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -53.64 50.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 120.288 1.404 . . . . 0.0 110.813 168.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.45 -38.7 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 122.019 -0.426 . . . . 0.0 110.418 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -27.61 68.67 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.127 1.371 . . . . 0.0 111.003 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.37 -22.67 63.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.15 1.341 . . . . 0.0 111.378 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -56.84 -63.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.856 1.662 . . . . 0.0 110.695 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.2 ptp -61.75 -30.54 70.85 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.825 -0.547 . . . . 0.0 110.922 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -8.76 51.54 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.853 -1.07 . . . . 0.0 112.555 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.57 26.64 1.74 Allowed Glycine 0 CA--C 1.529 0.934 0 CA-C-N 120.267 1.394 . . . . 0.0 114.328 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.56 155.57 24.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 118.908 1.354 . . . . 0.0 109.719 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.04 -30.48 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 123.75 0.82 . . . . 0.0 110.18 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.87 -106.24 0.06 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.444 ' H ' HD23 ' A' ' 73' ' ' LEU 0.298 7.3 tp 46.94 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.084 1 C-N-CA 132.331 4.252 . . . . 0.0 112.818 -171.324 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -119.64 -81.05 0.63 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -61.89 -53.59 53.63 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 119.976 1.262 . . . . 0.0 112.842 -172.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -66.54 1.06 1.86 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.419 -2.05 . . . . 0.0 113.814 173.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.15 -21.45 11.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.217 1.807 . . . . 0.0 111.008 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -20.39 65.43 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 120.302 1.41 . . . . 0.0 109.777 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.42 -9.72 50.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 111.576 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 -11.92 8.58 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 126.446 1.899 . . . . 0.0 113.558 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 mt -98.73 -61.55 1.36 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -50.04 75.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.79 5.27 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.085 1.354 . . . . 0.0 114.328 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -72.41 -53.51 12.04 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 119.625 -1.922 . . . . 0.0 108.898 165.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.12 8.03 0.92 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.312 1.045 . . . . 0.0 113.253 -161.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.265 68.9 p 53.87 19.43 1.94 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.149 1.78 . . . . 0.0 113.468 -162.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.39 -71.69 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.619 1.168 . . . . 0.0 109.513 -172.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.466 HE21 HG23 ' A' ' 55' ' ' VAL . 15.7 tm0? . . . . . 0 C--O 1.244 0.805 0 C-N-CA 131.13 3.772 . . . . 0.0 114.292 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.35 56.06 7.99 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.206 1.402 . . . . 0.0 110.172 174.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -54.32 -72.01 0.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.462 1.505 . . . . 0.0 110.022 174.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.16 133.26 27.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.94 0.896 . . . . 0.0 109.046 171.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.84 15.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 127.866 2.466 . . . . 0.0 107.428 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt 71.74 -70.93 0.14 Allowed 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 128.526 2.73 . . . . 0.0 108.423 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -76.67 4.71 8.89 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -167.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 p -41.41 -55.67 2.72 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 127.148 2.179 . . . . 0.0 112.022 -172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -118.82 39.03 3.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.173 0.989 . . . . 0.0 111.421 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.31 -39.08 3.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.925 162.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.268 3.3 m -47.75 -59.41 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.215 1.37 . . . . 0.0 112.562 -173.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -68.51 -33.24 73.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.251 -0.906 . . . . 0.0 112.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.94 -16.25 63.98 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.828 -0.606 . . . . 0.0 112.286 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -102.52 1.72 35.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.374 1.87 . . . . 0.0 112.124 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -110.6 -78.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.728 1.211 . . . . 0.0 109.093 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -63.85 1.07 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 119.597 1.089 . . . . 0.0 109.605 -165.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -12.72 15.23 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -174.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.99 -40.53 6.54 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 125.595 1.558 . . . . 0.0 108.114 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -139.19 -37.58 0.51 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.904 1.682 . . . . 0.0 113.664 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -27.93 39.61 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -159.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.12 134.49 36.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 104.092 -2.559 . . . . 0.0 104.092 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.77 -151.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 120.382 1.447 . . . . 0.0 109.722 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -32.06 70.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.003 -1.061 . . . . 0.0 111.585 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 m 47.08 -161.37 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.999 2.12 . . . . 0.0 113.175 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -79.62 161.39 25.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 164.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -60.44 -18.09 48.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.795 -0.622 . . . . 0.0 112.61 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -40.26 -51.2 2.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.052 1.741 . . . . 0.0 112.655 166.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.23 90.63 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.596 1.188 . . . . 0.0 109.602 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.42 65.48 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.497 1.119 . . . . 0.0 112.666 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.37 61.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.295 0.952 . . . . 0.0 112.05 174.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.46 -28.67 10.18 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.937 0.895 . . . . 0.0 110.964 170.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -20.74 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 121.326 -0.859 . . . . 0.0 111.535 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -14.0 60.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.367 1.867 . . . . 0.0 114.619 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -23.0 6.05 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.191 2.596 . . . . 0.0 108.473 -165.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -49.38 -31.04 8.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.011 -2.306 . . . . 0.0 112.378 171.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -34.49 74.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.095 1.758 . . . . 0.0 111.536 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -39.9 94.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.049 1.34 . . . . 0.0 109.082 168.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -73.85 -20.67 17.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 O-C-N 119.122 -2.236 . . . . 0.0 111.156 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.45 -22.44 65.05 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.873 -1.767 . . . . 0.0 114.136 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.77 48.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 171.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 -39.11 48.33 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.11 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -156.35 -72.35 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.2 156.36 48.8 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 128.847 2.859 . . . . 0.0 106.147 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.9 m -50.3 -34.4 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.808 1.243 . . . . 0.0 112.387 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -67.9 -78.55 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.637 1.575 . . . . 0.0 109.877 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -57.33 -25.36 59.23 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.6 1.16 . . . . 0.0 111.661 -171.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.646 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -36.17 52.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.551 0.34 . . . . 0.0 110.956 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.41 -54.66 42.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.522 0.729 . . . . 0.0 110.816 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -61.09 -32.25 71.91 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ttt -53.42 -36.96 62.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.467 1.507 . . . . 0.0 113.849 168.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.01 -23.41 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.11 0.964 . . . . 0.0 109.4 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 p -63.37 -61.22 2.49 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.069 0.947 . . . . 0.0 112.021 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -57.02 2.77 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 126.759 2.024 . . . . 0.0 110.876 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mp -68.18 -23.91 64.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -173.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 m -69.11 -42.73 75.7 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.766 0.712 . . . . 0.0 111.593 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.11 -34.02 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 122.074 -0.391 . . . . 0.0 111.325 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -30.33 70.58 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 119.657 -1.902 . . . . 0.0 110.375 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -26.83 63.69 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.67 -0.644 . . . . 0.0 110.674 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 t -51.67 -59.51 4.2 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.091 1.356 . . . . 0.0 109.515 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.48 -31.17 66.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.766 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -58.46 -28.07 64.98 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.168 0.587 . . . . 0.0 110.193 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.71 0.2 0.14 Allowed Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.473 1.511 . . . . 0.0 113.919 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.15 87.09 4.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 119.29 1.545 . . . . 0.0 110.72 -161.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.7 m -46.36 -45.14 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.73 1.612 . . . . 0.0 112.629 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.01 118.75 19.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 167.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -150.31 12.73 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.856 0.863 . . . . 0.0 112.863 160.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -60.75 1.85 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 119.858 1.208 . . . . 0.0 108.084 164.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -54.98 -71.05 0.09 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.917 -170.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -61.6 -1.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 120.216 -1.552 . . . . 0.0 115.008 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.96 -13.29 17.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.926 -1.988 . . . . 0.0 109.366 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -32.1 6.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.758 2.023 . . . . 0.0 111.767 -169.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.12 -4.54 0.52 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 128.634 2.774 . . . . 0.0 114.595 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.52 -5.96 9.77 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.266 1.826 . . . . 0.0 111.468 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 -65.81 0.96 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.127 1.371 . . . . 0.0 109.592 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.54 -36.35 75.97 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.872 1.269 . . . . 0.0 109.471 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.97 -16.33 57.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.161 -0.962 . . . . 0.0 113.173 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -70.9 -39.81 72.56 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 122.82 0.448 . . . . 0.0 111.888 -167.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.82 6.12 0.06 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 125.986 2.054 . . . . 0.0 110.854 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.274 18.1 p 59.75 18.72 7.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.826 1.193 . . . . 0.0 113.142 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.41 -24.24 0.73 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.081 1.352 . . . . 0.0 113.51 -168.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.88 -1.533 . . . . 0.0 109.701 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' HG3' ' H ' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 119.327 -0.368 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.519 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 2.7 ttp -63.38 -22.6 66.98 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.329 -164.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p 64.5 -4.54 0.42 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.775 2.83 . . . . 0.0 116.269 169.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 t0 95.71 133.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 1 C-N-CA 132.094 4.158 . . . . 0.0 108.56 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 t -145.88 24.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 128.29 2.636 . . . . 0.0 107.707 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt 65.97 166.29 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.921 2.489 . . . . 0.0 108.626 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.2 m 56.68 6.23 0.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -60.58 -33.42 72.68 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.481 1.491 . . . . 0.0 111.002 -163.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -128.04 39.6 3.82 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.757 1.623 . . . . 0.0 109.453 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.19 -51.25 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 153.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.283 1.4 m -57.23 -54.3 32.28 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 CA-C-N 118.162 0.437 . . . . 0.0 110.847 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.18 -22.05 62.08 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.7 -1.25 . . . . 0.0 111.793 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.41 -11.81 60.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.24 1.416 . . . . 0.0 113.559 171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -110.55 -29.94 7.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.869 1.668 . . . . 0.0 110.173 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.96 -27.79 2.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.342 -0.848 . . . . 0.0 113.185 -161.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.39 -63.28 1.48 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -27.81 34.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.535 -1.222 . . . . 0.0 111.736 -174.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -23.38 -54.77 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 130.319 3.448 . . . . 0.0 114.44 -162.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.291 0.0 OUTLIER -132.03 -23.37 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.589 1.555 . . . . 0.0 112.042 176.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -61.08 -46.65 89.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 118.477 0.58 . . . . 0.0 111.129 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' CG ' ' A' ' 31' ' ' TRP . 46.0 t -102.43 122.89 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.07 138.83 52.38 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.848 -0.533 . . . . 0.0 109.765 165.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.01 167.88 14.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.938 1.295 . . . . 0.0 110.515 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m 56.88 63.68 1.86 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 109.659 -160.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 p -141.61 153.09 44.56 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -120.22 -24.91 5.82 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.661 1.184 . . . . 0.0 111.69 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.44 -48.77 80.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.657 1.117 . . . . 0.0 109.23 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.416 ' CG ' HG11 ' A' ' 24' ' ' VAL . 1.8 t90 -57.15 -50.38 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.745 0.818 . . . . 0.0 111.567 171.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.3 78.53 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.317 1.447 . . . . 0.0 111.353 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -59.65 -6.89 1.29 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.669 1.587 . . . . 0.0 113.511 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.03 -18.98 9.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.086 1.354 . . . . 0.0 112.607 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -34.81 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.498 167.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -53.07 -49.19 66.87 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.612 1.096 . . . . 0.0 110.56 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -40.07 92.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.139 0.976 . . . . 0.0 110.82 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -34.49 62.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.462 1.028 . . . . 0.0 111.787 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -23.27 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.2 1.0 . . . . 0.0 111.973 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -54.89 7.29 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 118.813 0.733 . . . . 0.0 110.418 165.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.86 -17.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 116.638 -1.649 . . . . 0.0 112.251 -168.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -37.14 32.76 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 121.39 1.905 . . . . 0.0 112.773 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.34 64.47 0.63 Allowed 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 171.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.15 -59.62 2.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -132.94 -71.08 0.53 Allowed 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.611 0.764 . . . . 0.0 110.092 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -136.43 157.08 47.65 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.124 2.57 . . . . 0.0 104.732 172.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 m -51.43 -26.99 9.01 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 117.319 -1.324 . . . . 0.0 113.454 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.0 m -72.28 -72.75 0.22 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.536 1.516 . . . . 0.0 109.403 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.21 -32.94 25.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.914 1.686 . . . . 0.0 113.03 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.17 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 128.673 2.789 . . . . 0.0 111.246 171.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -33.83 31.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.237 0.615 . . . . 0.0 111.199 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.12 -60.84 2.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.025 0.93 . . . . 0.0 109.965 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -59.66 -30.94 69.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 110.863 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -24.77 67.57 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.814 1.246 . . . . 0.0 110.909 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.26 -37.05 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.978 1.311 . . . . 0.0 108.275 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -48.63 80.9 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.492 1.117 . . . . 0.0 111.787 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -54.65 6.97 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.448 1.099 . . . . 0.0 111.115 173.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.12 -32.36 73.73 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.475 -1.726 . . . . 0.0 111.822 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -34.22 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 121.129 1.786 . . . . 0.0 113.205 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.16 -41.04 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 109.622 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -27.49 68.9 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.031 1.333 . . . . 0.0 110.481 175.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -26.92 62.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.841 0.857 . . . . 0.0 110.005 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -62.56 -55.74 24.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 117.883 -1.056 . . . . 0.0 111.196 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptp -65.77 -28.55 69.11 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.839 0.745 . . . . 0.0 112.066 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -36.82 83.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.63 50.95 0.04 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.289 1.423 . . . . 0.0 113.931 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.17 90.01 2.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.534 1.167 . . . . 0.0 112.99 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.84 -37.25 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.554 1.142 . . . . 0.0 112.181 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.75 120.92 12.2 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.69 36.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 126.853 2.061 . . . . 0.0 106.708 160.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.72 -68.19 0.94 Allowed 'General case' 0 C--O 1.223 -0.338 0 O-C-N 120.776 -1.202 . . . . 0.0 108.772 170.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -60.55 3.62 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.146 1.339 . . . . 0.0 112.876 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -0.37 2.58 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.505 -1.372 . . . . 0.0 114.331 172.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.29 -12.03 18.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 116.148 -1.882 . . . . 0.0 111.282 173.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -25.89 6.81 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.557 1.981 . . . . 0.0 112.739 -168.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.81 -16.28 11.01 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.604 1.162 . . . . 0.0 113.973 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.75 16.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.512 1.505 . . . . 0.0 110.752 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -68.59 0.86 Allowed 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.306 1.443 . . . . 0.0 109.705 -172.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.07 -63.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -72.64 3.88 4.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.239 1.415 . . . . 0.0 112.868 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 tpt85 -62.15 -51.16 68.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.815 -1.178 . . . . 0.0 109.717 170.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.76 5.1 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.338 1.649 . . . . 0.0 112.027 -163.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.3 p 58.42 17.7 5.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.482 1.913 . . . . 0.0 113.079 -165.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.28 -24.39 0.87 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -161.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 3.7 ttm 65.81 -47.27 0.4 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.883 2.073 . . . . 0.0 111.928 -175.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.252 54.4 p 56.93 -159.32 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.584 1.954 . . . . 0.0 111.17 -171.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.08 110.61 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 126.494 1.918 . . . . 0.0 110.435 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.2 17.41 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 127.451 2.3 . . . . 0.0 109.684 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 74.95 -71.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.613 2.365 . . . . 0.0 110.437 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.91 1.15 18.43 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -30.49 -78.26 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.97 2.908 . . . . 0.0 113.446 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.19 38.72 1.44 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.894 -1.128 . . . . 0.0 110.295 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -33.13 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.18 0.992 . . . . 0.0 110.166 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.13 -50.51 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 119.108 0.867 . . . . 0.0 111.426 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 6.2 tt -60.42 -41.55 94.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 109.814 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -64.21 -14.97 58.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -104.82 1.1 28.76 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.511 1.524 . . . . 0.0 112.908 172.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -109.44 -68.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 126.626 1.97 . . . . 0.0 110.113 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.83 -66.56 0.91 Allowed 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -157.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -27.41 6.71 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.58 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -37.77 -47.52 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 126.326 1.851 . . . . 0.0 110.948 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.38 -44.49 1.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.77 0.428 . . . . 0.0 111.657 166.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 -58.01 -35.99 72.05 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -167.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -137.62 57.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 120.94 15.86 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -160.27 -174.13 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.43 1.892 . . . . 0.0 108.136 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 p -86.77 165.94 15.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.449 0.7 . . . . 0.0 109.685 154.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -76.57 90.84 3.34 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.153 -0.967 . . . . 0.0 111.668 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -120.51 -101.35 0.42 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.952 0.501 . . . . 0.0 110.8 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -46.82 56.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.577 1.551 . . . . 0.0 110.118 -174.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -30.49 70.38 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.51 -0.744 . . . . 0.0 111.29 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -29.44 65.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.76 1.224 . . . . 0.0 109.968 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -60.53 -20.85 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.464 1.484 . . . . 0.0 111.967 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -106.72 -22.79 12.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.369 -0.832 . . . . 0.0 111.315 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -43.01 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-O 117.922 -1.037 . . . . 0.0 108.59 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.14 -23.8 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.911 1.687 . . . . 0.0 114.787 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.68 -28.36 19.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.097 1.759 . . . . 0.0 110.605 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 1.7 p-80 -55.85 -40.01 72.26 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.185 1.357 . . . . 0.0 110.386 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -8.18 43.2 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -46.88 11.23 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 119.72 1.146 . . . . 0.0 110.222 161.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mm -56.69 -22.82 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.767 1.627 . . . . 0.0 111.619 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.04 -35.27 64.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.845 1.657 . . . . 0.0 111.633 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 1.1 mm? -107.65 50.24 0.78 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 120.3 1.409 . . . . 0.0 109.438 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.3 -40.29 37.26 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.906 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -159.36 -65.73 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.908 0.776 . . . . 0.0 110.78 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.6 163.13 32.85 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 129.689 3.196 . . . . 0.0 104.603 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -59.22 -33.66 71.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.436 1.471 . . . . 0.0 111.051 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -65.93 -76.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.831 2.452 . . . . 0.0 111.142 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.07 -23.13 44.53 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.381 1.072 . . . . 0.0 112.937 -171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -85.0 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.647 1.979 . . . . 0.0 110.787 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.1 19.4 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.528 0.731 . . . . 0.0 111.971 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -54.78 -49.73 70.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.123 0.969 . . . . 0.0 111.152 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -67.9 -26.61 66.08 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 117.458 -1.258 . . . . 0.0 111.002 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.74 83.49 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.859 1.663 . . . . 0.0 111.201 173.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 -38.04 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 118.156 -0.926 . . . . 0.0 108.554 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -81.34 -21.27 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -168.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.077 -1.639 . . . . 0.0 109.672 158.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.42 -25.6 61.54 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.995 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 p -60.43 -52.52 64.89 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.55 1.068 . . . . 0.0 111.752 169.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.76 -29.8 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -27.49 66.44 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -21.38 60.1 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.228 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 p -57.42 -65.74 0.58 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.83 1.195 . . . . 0.0 110.218 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -65.44 -23.93 67.05 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.676 1.59 . . . . 0.0 111.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.22 75.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.347 1.927 . . . . 0.0 113.474 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.97 80.73 1.99 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.324 1.562 . . . . 0.0 110.224 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.45 -24.19 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 130.394 3.478 . . . . 0.0 116.617 -165.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.74 3.24 2.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.315 1.046 . . . . 0.0 111.432 -170.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.48 -21.66 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 O-C-N 120.229 -1.544 . . . . 0.0 111.459 -162.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -45.3 -54.7 6.78 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 118.256 0.48 . . . . 0.0 111.451 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -47.88 37.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.355 0.662 . . . . 0.0 111.276 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.37 -8.39 25.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.606 1.162 . . . . 0.0 112.913 -173.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.97 -32.43 8.75 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-O 115.423 -2.227 . . . . 0.0 108.005 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -32.85 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 122.877 2.581 . . . . 0.0 109.982 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.31 1.01 38.98 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.665 -1.272 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.25 -0.1 10.52 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 129.811 3.245 . . . . 0.0 109.859 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mt -128.68 -77.66 0.56 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.18 -40.16 95.1 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.209 -0.932 . . . . 0.0 108.868 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.27 -9.35 59.16 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -57.69 -52.53 65.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.822 1.249 . . . . 0.0 108.523 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.65 15.29 0.37 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 118.27 -0.872 . . . . 0.0 112.458 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.255 8.3 p 51.23 53.71 12.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.143 0.883 . . . . 0.0 110.762 -172.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 tp -162.39 -36.61 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.032 1.733 . . . . 0.0 112.945 165.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.564 0.746 . . . . 0.0 111.267 -177.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HZ2' ' HB2' ' A' ' 5' ' ' MET . 3.3 ptmm? . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HB2' ' HZ2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -130.8 79.04 1.88 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 100.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.202 1.801 . . . . 0.0 108.798 162.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.41 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 128.002 2.521 . . . . 0.0 112.716 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.87 22.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 126.16 1.784 . . . . 0.0 108.483 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt 71.82 -74.52 0.09 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.426 2.69 . . . . 0.0 108.865 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -74.55 70.23 1.77 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.639 -0.663 . . . . 0.0 109.949 161.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 p -69.33 -79.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.448 1.099 . . . . 0.0 109.284 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.61 39.18 4.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.246 1.418 . . . . 0.0 109.837 -167.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 m -119.31 -48.85 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 110.178 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 t -54.74 -62.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.092 0 C-N-CA 125.876 1.67 . . . . 0.0 110.012 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.16 -23.96 67.26 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.427 -0.796 . . . . 0.0 111.093 -174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.64 -11.33 60.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.623 1.969 . . . . 0.0 113.104 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -120.6 0.87 10.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.4 1.48 . . . . 0.0 112.861 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.68 -61.65 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 119.888 1.222 . . . . 0.0 111.407 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.61 -72.25 0.45 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.553 -1.276 . . . . 0.0 107.553 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.5 18.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -44.49 -41.19 6.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 127.714 2.405 . . . . 0.0 112.325 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.68 -10.24 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.654 1.182 . . . . 0.0 113.141 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.54 -46.99 7.04 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.0 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.267 79.6 t -98.77 -103.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 106.546 -1.649 . . . . 0.0 106.546 -173.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.283 2.2 pt-20 70.33 152.22 0.1 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 130.018 3.327 . . . . 0.0 112.153 -164.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 t 143.06 -115.75 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 131.25 3.82 . . . . 0.0 105.755 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -149.39 45.27 0.96 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.956 0.902 . . . . 0.0 110.461 -158.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m 42.85 64.62 1.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.347 1.459 . . . . 0.0 111.701 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -80.37 -100.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.966 0.906 . . . . 0.0 108.829 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -27.84 9.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 123.424 0.69 . . . . 0.0 109.767 -173.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -36.28 9.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.172 0.989 . . . . 0.0 111.485 175.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.56 65.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.295 1.838 . . . . 0.0 112.227 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.11 -34.63 72.24 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.871 1.268 . . . . 0.0 111.14 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.1 -24.09 21.21 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.917 -0.489 . . . . 0.0 111.844 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -39.21 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 119.338 0.972 . . . . 0.0 110.249 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -68.13 -14.55 63.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.2 1.0 . . . . 0.0 112.666 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -35.6 20.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 121.461 -0.775 . . . . 0.0 110.969 168.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -40.26 74.53 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.166 1.348 . . . . 0.0 111.483 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -10.48 59.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.183 0.993 . . . . 0.0 113.09 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.3 -54.89 3.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -48.37 -12.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 128.695 2.798 . . . . 0.0 115.686 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.47 -27.79 11.42 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 121.857 2.117 . . . . 0.0 115.331 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.2 mt -115.7 33.42 5.49 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.181 1.355 . . . . 0.0 111.422 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 50' ' ' ALA . . . -84.35 128.18 34.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? 63.7 -81.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.44 1.096 . . . . 0.0 111.869 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -156.85 157.49 35.02 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 128.569 2.748 . . . . 0.0 106.581 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 m -53.4 -29.5 35.25 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.12 0.873 . . . . 0.0 113.138 -171.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -69.4 -75.06 0.12 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -19.36 63.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . . . -50.52 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.21 2.604 . . . . 0.0 112.525 163.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -38.11 72.67 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -174.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 96.4 mt-10 -58.55 -42.18 87.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.535 1.934 . . . . 0.0 110.537 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HZ2' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -57.71 -38.49 75.34 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 119.89 -1.756 . . . . 0.0 109.555 169.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -24.21 59.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.709 1.203 . . . . 0.0 109.588 -169.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -89.76 -20.72 6.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 125.357 1.463 . . . . 0.0 110.967 171.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -77.76 -47.2 19.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.852 1.261 . . . . 0.0 111.907 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -54.78 9.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.868 1.213 . . . . 0.0 111.239 169.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.55 0.48 12.45 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -56.17 5.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.228 0.922 . . . . 0.0 111.332 157.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -48.29 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.71 1.204 . . . . 0.0 109.877 -166.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -23.43 63.07 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.903 2.081 . . . . 0.0 112.418 -175.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.85 -22.16 63.96 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.051 -1.03 . . . . 0.0 112.047 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 p -41.7 -67.11 0.28 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.695 1.998 . . . . 0.0 111.462 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.0 ptm -75.28 -25.36 57.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 127.152 2.181 . . . . 0.0 112.352 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -25.76 68.34 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.018 0.527 . . . . 0.0 110.286 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.62 22.02 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 CA-C-O 117.504 -1.72 . . . . 0.0 113.322 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.41 95.77 4.58 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 120.798 2.299 . . . . 0.0 110.969 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.54 -30.4 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 118.335 0.516 . . . . 0.0 111.56 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.53 79.18 1.84 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -168.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -141.37 -28.89 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 118.129 -0.939 . . . . 0.0 111.273 152.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -63.32 1.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 120.062 1.301 . . . . 0.0 110.385 -168.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.57 77.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.697 0.76 . . . . 0.0 111.126 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.34 -30.48 64.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.124 1.369 . . . . 0.0 109.642 -173.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.96 -28.73 15.62 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.481 -1.247 . . . . 0.0 108.888 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.3 -39.8 32.41 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.563 1.074 . . . . 0.0 109.664 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.33 -23.6 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -46.02 12.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 116.886 -1.53 . . . . 0.0 110.076 169.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 2.2 pp -84.9 -40.25 17.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 120.018 1.281 . . . . 0.0 113.718 -162.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -53.14 61.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.4 -3.54 31.08 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.484 -1.385 . . . . 0.0 113.598 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.1 -54.29 22.77 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.9 18.67 0.59 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.889 1.276 . . . . 0.0 111.514 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.295 76.7 p 56.85 16.44 2.74 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.474 1.91 . . . . 0.0 114.305 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.73 -28.85 0.09 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.308 1.043 . . . . 0.0 111.775 -167.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.381 1.872 . . . . 0.0 112.38 175.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.379 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.318 0.0 OUTLIER 72.29 104.05 0.07 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.133 0.968 . . . . 0.0 109.113 -169.153 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -72.41 -59.57 2.66 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.552 1.541 . . . . 0.0 109.06 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -148.7 104.87 3.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.374 1.47 . . . . 0.0 108.878 -157.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -144.06 101.25 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.946 1.698 . . . . 0.0 107.22 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -78.59 -11.01 59.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.704 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -138.3 95.34 2.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.013 2.125 . . . . 0.0 106.482 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -93.24 -91.6 0.18 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -87.52 38.96 0.85 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 120.46 -1.4 . . . . 0.0 111.205 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG21 ' H ' ' A' ' 14' ' ' VAL 0.252 35.9 m -120.66 -72.8 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -23.78 -63.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 129.82 3.248 . . . . 0.0 114.221 171.148 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.41 -26.61 55.71 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.33 -0.856 . . . . 0.0 112.958 -171.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.14 -48.07 83.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 166.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 m -66.96 -6.11 15.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.9 -29.01 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 119.906 1.23 . . . . 0.0 113.108 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.21 -77.53 0.6 Allowed 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 121.006 -1.059 . . . . 0.0 109.316 -173.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.26 -25.05 1.37 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.739 174.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -28.92 -47.34 0.05 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 128.544 2.738 . . . . 0.0 110.503 170.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.455 0.0 OUTLIER -142.66 -10.86 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 117.195 2.295 . . . . 0.0 117.195 160.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.03 -34.68 20.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.37 1.441 . . . . 0.0 112.897 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.76 52.27 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 124.404 1.065 . . . . 0.0 112.195 -167.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -82.91 177.55 8.58 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.265 -1.522 . . . . 0.0 114.78 -172.12 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.437 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 1.8 t 51.37 73.31 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 129.1 2.96 . . . . 0.0 110.951 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -159.53 155.87 27.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -159.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -168.49 17.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.326 1.451 . . . . 0.0 113.365 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 -100.74 0.43 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.516 1.507 . . . . 0.0 112.448 -165.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 -46.38 77.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.44 1.473 . . . . 0.0 110.976 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -40.49 90.73 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.86 81.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.648 1.579 . . . . 0.0 111.323 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -12.42 4.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.923 1.689 . . . . 0.0 112.516 172.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 t -110.68 -23.44 11.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.943 1.297 . . . . 0.0 112.858 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -39.91 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 170.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -51.79 -46.16 64.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.603 1.092 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -29.21 64.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.608 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -31.73 56.82 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.799 1.181 . . . . 0.0 111.463 176.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 122.288 1.042 . . . . 0.0 110.395 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -64.74 -43.51 93.13 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.333 1.053 . . . . 0.0 110.363 174.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.7 -20.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-O 116.176 -1.869 . . . . 0.0 111.564 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -32.86 59.88 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 122.189 2.268 . . . . 0.0 112.573 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.278 2.3 mp -105.03 42.02 1.27 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.912 1.233 . . . . 0.0 110.265 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.46 93.7 8.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.253 11.6 tmtt? 71.15 -70.6 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.061 1.745 . . . . 0.0 110.67 -174.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.78 163.18 38.67 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.125 1.37 . . . . 0.0 108.646 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -49.15 -36.43 19.26 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.376 1.87 . . . . 0.0 113.029 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.0 m -74.18 -70.72 0.37 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.894 1.277 . . . . 0.0 110.315 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.26 -25.14 65.46 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 111.494 -171.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 127.305 2.242 . . . . 0.0 111.714 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -34.45 55.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.505 0.322 . . . . 0.0 111.412 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.36 -61.65 2.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.473 1.509 . . . . 0.0 109.488 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.51 -28.2 69.14 Favored 'General case' 0 C--N 1.333 -0.133 0 O-C-N 120.869 -1.145 . . . . 0.0 111.844 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -22.85 64.06 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.629 1.104 . . . . 0.0 110.471 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -82.0 -37.48 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.717 1.607 . . . . 0.0 107.717 170.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -60.21 -45.35 93.48 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -50.43 47.37 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.447 172.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.16 -18.2 63.2 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.344 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -56.15 19.23 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.856 1.207 . . . . 0.0 110.28 167.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.26 -29.0 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-O 122.24 1.019 . . . . 0.0 110.962 -170.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -31.28 70.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.213 -1.554 . . . . 0.0 110.643 173.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -28.98 70.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 120.45 1.477 . . . . 0.0 108.478 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -58.96 -55.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 ptp -68.32 -28.73 67.41 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 123.138 0.575 . . . . 0.0 112.212 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -34.85 78.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.09 49.45 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-O 118.533 -1.148 . . . . 0.0 112.358 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.33 90.84 2.34 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.649 1.725 . . . . 0.0 112.039 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.2 -32.23 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.331 -0.856 . . . . 0.0 112.848 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -134.63 90.66 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 127.777 2.431 . . . . 0.0 105.701 -171.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 tp -155.67 17.36 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 121.625 -0.672 . . . . 0.0 112.065 167.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -92.59 -72.77 0.58 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -72.97 -33.5 65.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -163.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD22 ' H ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.07 -1.69 49.38 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.507 1.123 . . . . 0.0 110.248 172.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 t -97.85 -41.43 8.04 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 116.37 -1.776 . . . . 0.0 106.413 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -26.54 -40.93 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 130.775 3.63 . . . . 0.0 115.903 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.36 -16.39 2.2 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.137 -1.602 . . . . 0.0 115.2 170.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -6.62 22.33 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.087 1.755 . . . . 0.0 111.365 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -69.62 0.8 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 107.915 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.09 -48.68 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.946 1.298 . . . . 0.0 108.559 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -5.32 44.1 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.983 -1.073 . . . . 0.0 112.437 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -60.91 -50.55 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 119.893 -1.754 . . . . 0.0 108.574 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.04 5.1 0.28 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 124.286 0.991 . . . . 0.0 112.848 -175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.2 p 44.56 43.58 6.56 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.602 1.092 . . . . 0.0 111.501 -155.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -50.92 0.53 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 116.844 -1.551 . . . . 0.0 111.674 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.87 0 C-N-CA 125.748 1.619 . . . . 0.0 110.064 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE2' ' CB ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 tpt -22.86 83.79 0.0 OUTLIER 'General case' 0 C--O 1.235 0.341 1 C-N-CA 131.806 4.043 . . . . 0.0 111.615 -169.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -90.1 -83.55 0.25 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -122.95 104.27 9.14 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.556 1.942 . . . . 0.0 106.834 -166.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 5.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 112.161 -2.29 . . . . 0.0 108.382 -165.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 71.62 -36.07 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 129.717 3.207 . . . . 0.0 111.356 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.0 p -81.14 -96.68 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 123.828 0.851 . . . . 0.0 110.989 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.424 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.371 0.5 OUTLIER 45.13 -91.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.564 2.346 . . . . 0.0 111.115 -170.129 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.424 ' H ' ' CG2' ' A' ' 11' ' ' THR . 3.1 p -82.35 49.85 1.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.924 1.689 . . . . 0.0 112.098 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -120.18 -52.59 3.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 161.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 m -48.5 -62.29 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 124.265 1.026 . . . . 0.0 111.911 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.31 -25.83 64.43 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.448 -1.408 . . . . 0.0 111.877 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.48 -2.91 34.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.81 2.044 . . . . 0.0 112.946 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -120.63 -5.59 9.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.554 1.942 . . . . 0.0 110.523 174.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -120.98 -35.44 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.38 -67.84 0.84 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -34.05 39.16 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -34.54 -48.1 0.35 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.31 2.244 . . . . 0.0 111.818 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.13 -32.18 0.96 Allowed 'General case' 0 C--N 1.34 0.193 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -81.99 -55.11 4.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.839 1.2 . . . . 0.0 110.176 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -107.29 55.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 125.496 1.519 . . . . 0.0 107.275 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.2 67.22 3.97 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.256 -174.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.6 157.09 44.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.874 1.67 . . . . 0.0 109.757 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 p -86.1 8.72 19.69 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.94 2.896 . . . . 0.0 113.649 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -71.79 178.15 3.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.376 1.071 . . . . 0.0 112.775 -160.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.16 -26.86 13.2 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.824 -1.173 . . . . 0.0 111.51 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.8 -49.26 77.21 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.593 1.088 . . . . 0.0 110.187 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -38.74 82.97 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.543 -0.723 . . . . 0.0 111.134 177.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.29 75.71 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.728 1.211 . . . . 0.0 110.602 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -13.79 5.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.585 1.954 . . . . 0.0 113.3 173.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.93 -27.47 11.68 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 120.207 1.367 . . . . 0.0 111.768 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.95 -34.47 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.082 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.87 -42.42 65.24 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.052 0.842 . . . . 0.0 111.916 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -41.19 79.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.87 -1.144 . . . . 0.0 110.42 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -34.48 57.78 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.82 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.87 -44.59 91.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.861 0.755 . . . . 0.0 109.681 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.51 74.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.917 1.287 . . . . 0.0 109.626 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.9 -16.42 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 O-C-N 119.608 -1.932 . . . . 0.0 111.986 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -26.14 60.47 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.988 2.177 . . . . 0.0 113.633 174.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -116.99 46.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.576 0.703 . . . . 0.0 110.117 174.185 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.44 24.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.338 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -141.91 -71.56 0.34 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.41 156.05 49.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.148 2.179 . . . . 0.0 106.121 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -51.55 -31.41 24.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.678 2.391 . . . . 0.0 112.998 -173.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m -68.45 -80.29 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.696 1.998 . . . . 0.0 109.314 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -28.33 37.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.437 1.495 . . . . 0.0 112.699 -171.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.64 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.878 2.071 . . . . 0.0 110.668 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -36.64 55.43 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.353 0.661 . . . . 0.0 111.204 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -52.92 -61.43 2.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.891 0.876 . . . . 0.0 109.769 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -62.23 -29.14 70.18 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 120.697 -1.252 . . . . 0.0 110.724 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.81 70.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.236 1.414 . . . . 0.0 109.015 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.509 ' HB ' HE22 ' A' ' 85' ' ' GLN . 4.4 t -76.69 -44.74 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.622 1.569 . . . . 0.0 109.055 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.9 p -53.66 -50.69 65.23 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.742 0.701 . . . . 0.0 112.493 -168.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -51.33 8.82 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.901 1.281 . . . . 0.0 111.577 173.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.48 -21.94 61.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.546 -170.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 81.5 p -64.2 -52.11 60.48 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 119.145 0.884 . . . . 0.0 110.745 173.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.75 -40.54 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -29.8 69.37 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.094 1.358 . . . . 0.0 111.617 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 120.476 1.489 . . . . 0.0 109.879 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 m -55.82 -65.82 0.53 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.418 1.008 . . . . 0.0 110.469 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.5 ptp -63.35 -26.15 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.678 0.791 . . . . 0.0 112.798 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -26.31 64.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.604 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.23 26.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.763 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.847 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.96 112.7 19.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 120.976 2.388 . . . . 0.0 111.468 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.71 -35.0 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.52 170.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -152.62 86.55 1.27 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.8 tp -129.21 -36.23 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 117.123 -1.417 . . . . 0.0 110.392 157.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -42.54 -68.16 0.21 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.334 1.454 . . . . 0.0 110.963 -169.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.28 -38.05 86.88 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.672 -0.642 . . . . 0.0 112.645 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.01 -7.56 30.08 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.331 1.852 . . . . 0.0 111.334 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.97 -38.68 5.27 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.44 -30.11 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 121.437 1.926 . . . . 0.0 112.75 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.86 -30.62 65.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.233 -1.542 . . . . 0.0 111.083 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 ttt -83.35 1.38 41.56 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 127.241 2.216 . . . . 0.0 112.049 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -125.21 -52.81 1.63 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.788 1.235 . . . . 0.0 111.032 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -71.91 -74.24 0.16 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -69.2 8.47 0.57 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.091 -1.631 . . . . 0.0 114.18 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 tpt85 -56.41 -57.89 10.37 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.691 1.596 . . . . 0.0 111.143 158.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.49 17.43 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.966 2.107 . . . . 0.0 111.608 -161.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.28 2.2 p 54.69 45.98 25.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.706 2.802 . . . . 0.0 113.219 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.39 -36.77 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.509 HE22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.977 0.911 . . . . 0.0 110.487 -163.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.519 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.1 tpt -141.81 80.61 1.73 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 103.667 -2.716 . . . . 0.0 103.667 -176.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -68.05 -80.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.107 1.363 . . . . 0.0 110.532 -174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -147.93 145.72 28.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -145.85 11.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 C-N-CA 129.234 3.014 . . . . 0.0 106.177 -158.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 73.32 -26.35 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 130.614 3.566 . . . . 0.0 112.294 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.6 m -135.65 52.3 2.01 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.683 1.593 . . . . 0.0 109.963 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.1 p -77.94 -86.16 0.06 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.067 -1.021 . . . . 0.0 109.417 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 38.08 0.68 Allowed 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.861 -1.149 . . . . 0.0 110.377 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 m -106.57 -23.79 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.922 1.289 . . . . 0.0 108.07 169.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -69.18 -75.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.075 2.15 . . . . 0.0 108.345 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.66 -29.17 70.44 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.253 -0.904 . . . . 0.0 112.599 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 mt -69.9 -17.52 63.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.329 0.651 . . . . 0.0 112.746 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -93.98 -4.7 49.18 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.966 0.907 . . . . 0.0 112.049 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.99 -67.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 119.874 1.215 . . . . 0.0 110.549 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -70.5 0.29 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -171.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.69 -22.9 48.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 125.045 1.338 . . . . 0.0 113.556 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -44.59 -33.27 1.72 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.816 2.046 . . . . 0.0 111.807 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.3 -28.04 0.32 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 162.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -74.29 -37.89 63.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.85 0.75 . . . . 0.0 112.129 -164.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.6 60.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.382 1.473 . . . . 0.0 108.03 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.47 158.44 4.37 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 112.253 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' HA ' ' CH2' ' A' ' 31' ' ' TRP . 79.1 p -58.9 4.28 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.502 3.121 . . . . 0.0 118.489 -151.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 t -85.1 -2.0 57.5 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -150.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -156.13 133.6 10.88 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 122.729 2.513 . . . . 0.0 113.261 -169.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.57 -36.66 81.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.865 2.066 . . . . 0.0 114.827 -167.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.21 73.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.564 1.075 . . . . 0.0 110.773 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -58.73 -44.08 90.37 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.494 -0.754 . . . . 0.0 109.597 177.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -29.65 70.66 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.686 1.594 . . . . 0.0 112.571 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.38 -13.89 59.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.003 0.921 . . . . 0.0 111.349 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -27.96 12.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 125.419 1.488 . . . . 0.0 112.323 167.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.17 -39.85 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.05 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.81 -43.92 66.27 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 120.288 1.404 . . . . 0.0 111.805 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.68 91.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.755 1.222 . . . . 0.0 110.745 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -34.0 37.61 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.849 1.204 . . . . 0.0 112.864 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.86 -28.42 69.54 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.539 1.638 . . . . 0.0 110.978 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -88.58 -34.97 17.14 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.855 -1.153 . . . . 0.0 110.687 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.03 -17.91 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 125.438 1.495 . . . . 0.0 112.453 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -19.71 9.04 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 122.091 2.223 . . . . 0.0 113.171 170.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -118.77 43.44 2.54 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.747 2.419 . . . . 0.0 111.279 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.12 -15.69 56.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.53 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -167.73 -65.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 171.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -156.16 168.94 25.7 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 128.722 2.809 . . . . 0.0 107.11 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -48.75 -47.5 41.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.147 1.779 . . . . 0.0 113.787 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 m -64.59 -68.04 0.39 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.097 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.6 -40.73 13.4 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.834 1.654 . . . . 0.0 112.112 -174.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 128.391 2.676 . . . . 0.0 110.67 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -27.41 64.49 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.404 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -57.52 -51.79 68.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 119.96 -1.712 . . . . 0.0 110.248 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -77.01 -22.39 53.17 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.808 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 ttm -51.98 -45.94 64.67 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.141 1.776 . . . . 0.0 111.356 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.42 -36.33 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.0 m -63.17 -54.79 32.2 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 117.223 -1.37 . . . . 0.0 112.095 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -61.12 1.06 Allowed 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 124.598 1.159 . . . . 0.0 110.286 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.36 -21.99 66.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.777 -1.106 . . . . 0.0 113.285 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.8 m -70.57 -48.31 55.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.216 0.917 . . . . 0.0 111.299 170.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -44.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 121.276 -0.89 . . . . 0.0 108.995 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -27.19 63.22 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.435 2.294 . . . . 0.0 110.934 176.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.06 -22.69 64.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.526 1.057 . . . . 0.0 109.662 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -56.36 -56.59 19.2 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.661 1.184 . . . . 0.0 110.503 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.4 ptm -73.3 -25.4 60.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.919 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -24.57 64.77 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.659 0.6 . . . . 0.0 109.602 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 31.11 0.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.806 1.193 . . . . 0.0 114.399 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.28 54.7 1.44 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 119.117 1.458 . . . . 0.0 109.372 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -56.11 -18.85 6.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.176 -0.953 . . . . 0.0 113.1 -167.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.95 86.94 2.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.53 1.532 . . . . 0.0 108.037 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.1 tp -145.02 19.83 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.303 1.441 . . . . 0.0 111.673 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -120.06 -47.31 2.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 O-C-N 121.131 -0.981 . . . . 0.0 109.876 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -72.53 -64.8 0.88 Allowed 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.725 0.81 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.519 ' CD1' ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -68.1 0.49 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 173.222 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.49 -6.75 20.34 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 116.006 -1.949 . . . . 0.0 109.629 171.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -26.69 34.89 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 122.252 2.296 . . . . 0.0 111.503 -171.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.96 -12.12 3.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.982 1.713 . . . . 0.0 112.986 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.3 mtp -121.5 -4.46 9.32 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 111.023 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -67.28 0.94 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.828 2.051 . . . . 0.0 108.815 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -57.72 11.67 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 108.218 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -65.72 -5.89 9.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.969 1.308 . . . . 0.0 113.389 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -68.82 -41.69 78.24 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.529 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.21 13.95 0.15 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p 54.29 46.31 25.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.192 1.797 . . . . 0.0 112.997 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.68 -36.07 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.6 2.36 . . . . 0.0 112.642 -167.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 119.043 -0.503 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.59 87.23 1.92 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -66.04 -62.25 1.59 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -167.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -143.04 109.49 5.37 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 103.282 -2.859 . . . . 0.0 103.282 -166.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 10' ' ' CYS . 1.6 t -138.01 5.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 124.096 0.959 . . . . 0.0 108.585 -155.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp 78.18 -31.7 0.16 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.306 2.642 . . . . 0.0 109.808 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' VAL . 81.1 m -69.39 -107.05 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.323 -1.322 . . . . 0.0 109.884 144.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.276 98.7 m 56.47 -105.24 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.011 -164.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.36 60.94 5.94 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.887 2.13 . . . . 0.0 110.347 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' CG2' ' H ' ' A' ' 14' ' ' VAL 0.29 3.6 m -120.6 -75.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 118.386 -0.816 . . . . 0.0 108.954 160.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' H ' ' CG2' ' A' ' 13' ' ' VAL 0.274 1.0 OUTLIER -53.59 -53.15 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 119.473 1.033 . . . . 0.0 111.863 -163.501 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.85 -41.66 96.28 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.97 -13.62 57.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.78 0.832 . . . . 0.0 113.092 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -105.82 0.7 26.26 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.964 1.706 . . . . 0.0 111.715 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -115.41 -65.51 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 110.093 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -65.31 1.03 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -165.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -25.02 5.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.741 172.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -32.42 -56.41 0.34 Allowed 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 128.986 2.914 . . . . 0.0 108.749 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.02 -5.85 1.66 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 125.318 1.636 . . . . 0.0 114.307 171.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -45.62 13.53 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 120.594 1.543 . . . . 0.0 110.257 -172.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -139.86 63.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 126.948 2.099 . . . . 0.0 106.233 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -31.54 45.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.53 1.132 . . . . 0.0 111.089 -177.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 p 153.8 163.47 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 130.142 3.377 . . . . 0.0 110.033 144.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m -125.9 -59.56 1.34 Allowed 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 164.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -147.47 -177.42 5.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.305 1.05 . . . . 0.0 112.846 -169.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.32 -10.81 0.98 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.126 164.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.09 -63.78 1.1 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.672 1.578 . . . . 0.0 109.896 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -42.01 63.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.769 0.795 . . . . 0.0 110.193 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.23 70.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.939 0.896 . . . . 0.0 111.914 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.73 -12.2 15.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.68 0.792 . . . . 0.0 112.217 172.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -26.83 8.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.17 1.388 . . . . 0.0 110.942 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.56 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.646 169.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 2.2 pt20 -63.7 -72.91 0.13 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 121.258 1.844 . . . . 0.0 110.666 167.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -53.7 -26.87 24.88 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 127.866 2.466 . . . . 0.0 113.236 -167.06 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.57 -33.98 16.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.943 0.792 . . . . 0.0 112.806 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -68.84 -31.67 70.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.069 1.347 . . . . 0.0 111.482 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.43 -52.77 23.69 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mm -49.54 -24.24 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 127.832 2.453 . . . . 0.0 114.887 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' H ' HD23 ' A' ' 42' ' ' LEU . 1.4 mm? -60.89 -19.15 59.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 123.371 2.805 . . . . 0.0 113.01 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -118.13 42.93 2.57 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 119.488 1.04 . . . . 0.0 109.775 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.13 -62.54 1.36 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.802 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -128.93 -61.03 1.07 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.132 0.573 . . . . 0.0 110.906 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -153.08 166.88 31.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.3 m -50.5 -38.34 43.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.117 1.367 . . . . 0.0 112.291 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -73.44 -69.72 0.41 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.609 0.641 . . . . 0.0 109.802 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -61.73 -24.7 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.757 0.789 . . . . 0.0 112.259 -163.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.5 -75.34 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.092 2.557 . . . . 0.0 111.741 166.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -40.39 54.35 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.158 0.583 . . . . 0.0 109.797 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.0 -50.49 68.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.099 0.559 . . . . 0.0 109.892 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -68.1 -26.02 65.61 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.651 -0.656 . . . . 0.0 112.091 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -36.15 68.19 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.906 0.775 . . . . 0.0 111.144 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' HB ' HE22 ' A' ' 85' ' ' GLN . 3.3 t -70.2 -43.36 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.481 173.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.453 ' HG ' ' C ' ' A' ' 85' ' ' GLN . 0.8 OUTLIER -66.41 -40.92 89.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.162 1.347 . . . . 0.0 114.037 -168.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -55.52 8.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 118.166 0.439 . . . . 0.0 109.887 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.54 -31.18 69.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.754 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -54.48 -55.34 29.97 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.172 0.897 . . . . 0.0 110.183 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.42 -25.1 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 122.928 0.491 . . . . 0.0 110.513 -171.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -32.23 67.19 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.951 1.7 . . . . 0.0 111.487 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -30.38 60.34 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.522 1.51 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 t -52.42 -63.51 1.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.829 1.652 . . . . 0.0 109.754 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.4 ptm -68.82 -25.25 64.58 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.01 0.524 . . . . 0.0 111.54 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -9.38 42.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.764 0.826 . . . . 0.0 111.173 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.45 36.27 1.95 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 124.337 0.97 . . . . 0.0 111.969 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.56 157.23 17.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.374 1.087 . . . . 0.0 108.465 164.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.55 -50.79 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 159.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.23 42.21 1.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.295 1.438 . . . . 0.0 110.242 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.34 -54.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 CA-C-O 116.166 -1.873 . . . . 0.0 107.516 161.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -38.11 -68.0 0.17 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.184 1.811 . . . . 0.0 113.39 -165.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -78.22 -27.41 47.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.235 0.925 . . . . 0.0 113.294 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.9 -10.3 47.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.078 0.551 . . . . 0.0 110.154 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.9 t -111.86 -32.19 6.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.7 -35.26 30.25 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 120.554 1.525 . . . . 0.0 111.001 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.75 -54.03 32.62 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 123.321 1.534 . . . . 0.0 109.475 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.15 2.65 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 128.14 2.576 . . . . 0.0 115.508 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 pp -140.67 -53.1 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.056 1.298 . . . . 0.0 111.025 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.13 -30.72 66.85 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.265 -1.522 . . . . 0.0 111.118 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -93.38 1.34 56.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 119.477 -2.014 . . . . 0.0 111.925 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -61.92 2.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 161.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.95 15.4 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.31 -158.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.308 25.2 p 54.74 26.32 7.46 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 -27.27 0.97 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.229 1.412 . . . . 0.0 114.387 -169.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.453 ' C ' ' HG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 116.357 -1.782 . . . . 0.0 113.134 -158.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.19 49.29 20.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.178 1.391 . . . . 0.0 111.541 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -63.55 -65.38 0.69 Allowed 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 124.87 1.268 . . . . 0.0 111.792 -165.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -146.3 104.91 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.492 1.917 . . . . 0.0 107.681 -162.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 9.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.727 -155.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp 72.82 -27.05 0.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.176 2.591 . . . . 0.0 113.287 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -129.49 1.24 5.03 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.751 1.62 . . . . 0.0 112.218 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -48.35 -55.24 11.24 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 125.816 1.647 . . . . 0.0 109.255 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -105.52 37.68 2.16 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.531 0.732 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.66 -40.75 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 120.712 -1.243 . . . . 0.0 111.285 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.294 23.0 m -57.58 -51.39 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 119.327 0.967 . . . . 0.0 112.38 -167.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.35 -30.14 60.16 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.696 -1.252 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.4 -8.02 7.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.984 0.914 . . . . 0.0 112.613 168.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -120.75 1.03 10.49 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.985 1.314 . . . . 0.0 111.977 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.67 -24.67 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -70.72 0.78 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 118.666 0.666 . . . . 0.0 109.785 -172.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -21.43 3.84 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 172.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -44.69 -34.4 2.21 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.448 1.499 . . . . 0.0 110.906 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.72 -61.38 0.54 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.853 1.661 . . . . 0.0 111.056 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.29 66.36 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -160.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.252 7.7 p -136.81 48.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 124.019 0.928 . . . . 0.0 110.65 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -12.18 61.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.31 0.644 . . . . 0.0 110.425 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 87.26 0.3 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 166.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.3 m -60.27 153.51 22.24 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.503 -0.748 . . . . 0.0 110.162 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 t -162.03 -169.91 2.35 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.592 2.757 . . . . 0.0 104.794 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -92.47 -11.5 34.51 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.792 -1.099 . . . . 0.0 112.109 155.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.46 -67.54 0.41 Allowed 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.556 1.071 . . . . 0.0 110.695 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -37.28 63.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.397 -0.814 . . . . 0.0 110.788 175.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.77 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.636 0.774 . . . . 0.0 110.757 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.54 -21.46 65.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.5 1.52 . . . . 0.0 112.967 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.7 -45.25 14.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 119.678 1.126 . . . . 0.0 110.874 158.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -52.96 -38.56 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.925 -166.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.15 -14.7 0.46 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.38 -29.39 10.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.198 2.199 . . . . 0.0 110.388 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -53.14 -37.3 61.7 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 122.519 2.418 . . . . 0.0 113.074 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -63.15 -27.24 69.24 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.673 1.589 . . . . 0.0 110.795 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.475 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.0 t0 -79.86 -44.7 20.01 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.448 1.099 . . . . 0.0 110.488 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -57.53 -15.27 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 128.298 2.639 . . . . 0.0 112.041 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -22.55 60.01 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 122.437 2.38 . . . . 0.0 113.059 174.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.75 53.96 1.24 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.927 1.691 . . . . 0.0 107.777 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.61 67.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.33 177.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 -68.74 0.25 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.944 1.298 . . . . 0.0 107.986 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -133.15 158.29 43.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.788 2.035 . . . . 0.0 107.571 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -53.85 -34.49 59.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.715 1.143 . . . . 0.0 113.403 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.0 m -77.77 -68.51 0.62 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.616 0.766 . . . . 0.0 109.129 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.81 -14.37 21.29 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.481 1.113 . . . . 0.0 112.719 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.76 -75.8 0.08 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.245 2.618 . . . . 0.0 113.047 162.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -34.83 70.29 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.058 -0.401 . . . . 0.0 110.156 -173.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -53.01 -50.73 63.62 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.267 1.027 . . . . 0.0 109.724 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.52 -36.85 83.88 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.009 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.441 ' HA ' HD12 ' A' ' 57' ' ' LEU . 2.3 ttt -52.74 -17.6 1.42 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.468 2.707 . . . . 0.0 112.523 170.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.64 -24.77 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 O-C-N 119.874 -1.766 . . . . 0.0 108.135 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -59.97 4.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 126.13 1.772 . . . . 0.0 114.317 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -47.7 -53.59 14.61 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 126.055 1.742 . . . . 0.0 112.06 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.287 3.7 mp -58.01 -36.57 72.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 117.058 -1.857 . . . . 0.0 112.224 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -1.15 4.7 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 p -120.22 -31.01 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 122.257 2.299 . . . . 0.0 111.831 169.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -34.88 68.36 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.741 -1.225 . . . . 0.0 108.855 164.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.85 -15.72 13.9 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.213 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.5 m -55.76 -12.28 1.25 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.104 1.362 . . . . 0.0 114.347 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -120.11 -33.42 3.94 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.603 1.561 . . . . 0.0 113.368 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -56.63 -42.18 78.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.936 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.8 68.2 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -150.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 69' ' ' ASP . . . -108.76 -138.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.736 1.614 . . . . 0.0 109.866 166.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.402 0.9 OUTLIER 57.66 -30.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 1 C-N-CA 131.977 4.111 . . . . 0.0 113.046 -162.094 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 67' ' ' ALA . 8.1 m-20 -120.62 66.2 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 128.5 2.72 . . . . 0.0 106.356 167.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tp -140.82 6.6 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 165.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -81.18 -71.1 0.49 Allowed 'General case' 0 C--O 1.222 -0.354 0 O-C-N 120.46 -1.4 . . . . 0.0 108.494 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.5 -53.02 25.94 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.933 . . . . 0.0 112.768 -165.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -66.23 1.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.978 174.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.0 t -116.38 -17.33 10.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 120.39 1.45 . . . . 0.0 112.524 168.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -28.72 65.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 121.649 2.022 . . . . 0.0 110.053 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.8 -4.47 37.89 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 mtt -121.13 -0.56 9.94 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.142 3.377 . . . . 0.0 112.904 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.19 -71.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 -174.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -48.86 79.02 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.292 1.037 . . . . 0.0 108.389 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.05 -0.6 19.5 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.258 1.423 . . . . 0.0 113.848 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -71.48 -46.29 60.25 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.653 -1.279 . . . . 0.0 109.77 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.98 21.94 0.05 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.889 1.675 . . . . 0.0 111.26 171.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.6 p 49.55 53.75 12.17 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.246 1.418 . . . . 0.0 112.837 -172.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tp -154.51 -32.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 . . . . . 0 C--O 1.247 0.941 0 C-N-CA 129.547 3.139 . . . . 0.0 110.805 -173.801 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -138.19 95.02 2.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 107.367 -161.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.253 1.5 p -66.18 64.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.482 3.513 . . . . 0.0 113.81 -173.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 80.46 130.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 1 C-N-CA 132.183 4.193 . . . . 0.0 110.122 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.15 101.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 124.172 1.939 . . . . 0.0 106.657 -175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -76.65 15.67 0.6 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.175 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.7 m -134.73 -82.12 0.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.774 1.63 . . . . 0.0 109.97 -168.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.267 54.3 m 64.49 -103.59 0.11 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.864 -1.065 . . . . 0.0 109.53 174.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -89.32 38.2 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.506 1.957 . . . . 0.0 111.733 -173.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 m -108.89 -53.11 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.089 -1.007 . . . . 0.0 110.505 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.17 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 125.348 1.459 . . . . 0.0 110.458 -169.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 5.1 tt -63.57 -36.32 83.42 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.864 -0.523 . . . . 0.0 109.888 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.76 -17.89 64.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.241 1.016 . . . . 0.0 111.078 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -100.97 0.61 38.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.86 2.064 . . . . 0.0 112.794 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -116.66 -73.42 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 124.929 1.292 . . . . 0.0 110.242 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 -64.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -161.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -25.6 34.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.394 173.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -35.83 -41.61 0.23 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.166 2.586 . . . . 0.0 112.013 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -34.36 0.93 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.336 1.054 . . . . 0.0 112.48 173.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -77.97 0.09 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 119.427 1.012 . . . . 0.0 109.122 -171.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.84 54.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.614 1.165 . . . . 0.0 109.435 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.09 -24.31 53.11 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -173.67 162.48 4.11 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 127.688 2.395 . . . . 0.0 107.99 152.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -175.54 121.45 0.19 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 156.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 t 54.23 -163.46 0.11 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.237 1.415 . . . . 0.0 111.595 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -85.21 -2.01 57.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 117.887 -1.054 . . . . 0.0 111.297 151.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -46.01 -68.31 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.775 1.63 . . . . 0.0 110.033 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.839 0.828 . . . . 0.0 110.415 -177.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.23 -28.13 69.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.655 1.582 . . . . 0.0 111.954 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -32.42 70.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.399 1.079 . . . . 0.0 111.436 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.05 -32.06 20.18 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.503 1.047 . . . . 0.0 110.521 168.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.27 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-O 117.216 -1.373 . . . . 0.0 111.957 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 3.7 pt20 -68.97 -70.77 0.25 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.026 1.739 . . . . 0.0 109.558 165.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -51.63 -28.21 13.67 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 127.438 2.295 . . . . 0.0 113.613 -173.163 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -52.32 -25.02 8.53 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 121.338 1.881 . . . . 0.0 112.81 170.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -65.62 -43.62 88.97 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.082 1.353 . . . . 0.0 110.349 172.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.63 -11.49 60.87 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 119.95 -1.719 . . . . 0.0 111.116 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.75 -15.04 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 119.912 -1.743 . . . . 0.0 111.567 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -55.42 -33.37 63.49 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 122.446 2.384 . . . . 0.0 111.308 -178.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -113.23 56.43 0.69 Allowed 'General case' 0 C--N 1.342 0.245 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.24 -36.24 24.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.52 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.59 -69.57 0.11 Allowed 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.326 1.05 . . . . 0.0 108.576 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -146.88 166.5 26.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 125.98 1.712 . . . . 0.0 107.605 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -60.11 -29.28 68.5 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.462 -0.78 . . . . 0.0 113.017 -168.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.8 m -78.33 -67.79 0.7 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.73 -30.8 23.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.073 1.749 . . . . 0.0 115.082 -172.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.31 -86.21 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.311 1.844 . . . . 0.0 110.108 168.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -34.85 13.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.641 0.776 . . . . 0.0 111.482 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.15 -56.74 17.86 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.392 1.077 . . . . 0.0 111.155 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -61.14 -26.07 67.43 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.756 1.162 . . . . 0.0 110.644 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.425 ' CE ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -66.86 -27.41 67.51 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -174.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t -85.26 -38.8 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 125.269 1.428 . . . . 0.0 107.924 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -29.87 61.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.978 -166.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -56.95 6.26 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 164.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.44 -29.48 69.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.731 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -35.96 76.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.398 1.454 . . . . 0.0 113.012 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.9 -38.4 14.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.884 0.473 . . . . 0.0 110.136 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -31.15 71.75 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.939 1.695 . . . . 0.0 110.663 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.5 -29.12 23.41 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.182 0.993 . . . . 0.0 111.09 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -66.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.12 1.368 . . . . 0.0 109.643 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 ptm -65.45 -27.83 68.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.26 0.553 . . . . 0.0 111.423 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.27 51.84 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.726 1.21 . . . . 0.0 110.293 173.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.51 17.23 0.98 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.639 1.59 . . . . 0.0 113.223 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 157.49 15.92 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 119.306 1.553 . . . . 0.0 110.268 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.84 -59.51 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.038 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -133.39 74.7 1.57 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.414 -2.81 . . . . 0.0 103.414 -168.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 tp -145.55 6.64 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.257 0.623 . . . . 0.0 112.001 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.29 -77.12 0.24 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 159.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -58.26 -60.03 4.4 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.517 ' CD2' ' H ' ' A' ' 73' ' ' LEU . 1.1 pt? -62.76 -13.87 38.06 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.006 0.923 . . . . 0.0 112.742 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.26 -34.63 20.34 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.665 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 15.3 mt-10 -52.48 -29.32 24.25 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.17 1.788 . . . . 0.0 109.878 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.76 -1.53 28.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.689 2.395 . . . . 0.0 113.145 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 mtt -120.98 -54.5 2.02 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 127.221 2.208 . . . . 0.0 109.671 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 75' ' ' GLU . 2.0 pp -66.76 -50.71 61.85 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 125.257 1.423 . . . . 0.0 108.944 -168.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.39 -47.55 85.28 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -70.73 3.53 3.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.748 -1.845 . . . . 0.0 115.562 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -45.46 27.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.739 -1.851 . . . . 0.0 109.786 174.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.49 4.34 0.43 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 124.117 0.886 . . . . 0.0 113.369 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 p 61.31 7.89 1.89 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.549 2.34 . . . . 0.0 114.193 -163.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.92 -24.2 2.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.759 1.224 . . . . 0.0 113.117 -158.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 126.022 1.729 . . . . 0.0 110.427 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.8 46.86 15.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.936 2.095 . . . . 0.0 108.595 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -66.24 -51.47 57.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.014 0.926 . . . . 0.0 110.702 -167.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.18 112.8 3.86 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 127.206 2.203 . . . . 0.0 105.799 -168.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.81 10.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 126.194 1.798 . . . . 0.0 107.685 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt 72.59 -42.45 0.53 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 130.257 3.423 . . . . 0.0 110.91 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.45 17.87 18.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.177 1.791 . . . . 0.0 112.586 -171.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -46.62 -65.65 0.52 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 125.366 1.466 . . . . 0.0 113.362 -169.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -89.22 35.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.389 1.476 . . . . 0.0 111.155 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.3 -41.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.847 2.059 . . . . 0.0 109.088 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.0 -7.64 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -174.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -120.58 -27.14 5.18 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.172 1.389 . . . . 0.0 113.247 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -37.36 82.28 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 108.969 167.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.56 1.98 39.42 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.382 -0.824 . . . . 0.0 112.125 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.2 t -122.01 -28.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -71.13 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.571 1.532 . . . . 0.0 110.82 -168.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -53.17 -17.11 1.45 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.819 1.248 . . . . 0.0 113.978 167.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.57 -24.96 15.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.284 1.433 . . . . 0.0 111.472 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.97 -71.78 0.42 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.953 1.701 . . . . 0.0 107.073 156.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -42.21 -76.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.456 1.902 . . . . 0.0 114.647 -161.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.8 74.04 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 122.909 1.338 . . . . 0.0 107.679 -172.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -51.49 156.51 1.26 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.932 2.493 . . . . 0.0 110.385 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.66 136.63 13.12 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -163.29 -177.92 5.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.179 2.192 . . . . 0.0 106.773 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.5 p -158.48 28.89 0.24 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.431 1.093 . . . . 0.0 111.762 166.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -103.82 -101.07 0.3 Allowed 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.013 -1.054 . . . . 0.0 110.133 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -30.62 31.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.387 1.475 . . . . 0.0 109.484 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -63.48 -44.23 94.98 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 120.8 -1.187 . . . . 0.0 109.558 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.95 -39.81 75.26 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.686 1.194 . . . . 0.0 109.347 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 0.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.559 1.944 . . . . 0.0 115.245 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -132.0 -24.24 2.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 122.278 2.308 . . . . 0.0 109.134 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.3 -40.09 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.466 165.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.56 -8.36 0.54 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.918 2.087 . . . . 0.0 116.395 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.09 -26.54 10.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.896 1.278 . . . . 0.0 111.137 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -56.87 -35.88 69.42 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.699 1.59 . . . . 0.0 112.638 -173.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -59.11 -41.89 89.21 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.082 2.953 . . . . 0.0 109.926 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.27 -36.57 66.37 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.445 176.296 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.48 -22.2 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 116.946 -1.502 . . . . 0.0 112.148 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -17.42 29.98 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 123.219 2.736 . . . . 0.0 114.219 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -120.52 58.0 0.94 Allowed 'General case' 0 C--O 1.237 0.424 0 C-N-CA 127.853 2.461 . . . . 0.0 109.197 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.69 109.17 16.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.55 -68.38 0.19 Allowed 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 126.172 1.789 . . . . 0.0 110.172 -171.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -166.5 164.48 17.15 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.404 1.881 . . . . 0.0 108.403 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -57.56 -28.08 63.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.421 1.489 . . . . 0.0 113.734 -171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.7 m -70.96 -69.67 0.35 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.665 1.12 . . . . 0.0 109.303 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.37 -24.79 66.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.181 1.393 . . . . 0.0 111.8 -164.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.32 -86.56 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 129.147 2.979 . . . . 0.0 111.626 163.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -32.59 64.31 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 111.208 -171.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.67 -56.23 16.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.2 1.4 . . . . 0.0 109.242 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.93 -30.07 68.45 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.453 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.82 -41.08 44.0 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.928 1.24 . . . . 0.0 112.403 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.18 -39.74 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.4 t -70.47 -47.03 62.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -49.61 8.6 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.498 1.045 . . . . 0.0 109.991 173.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.8 -41.05 83.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.228 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -61.11 -31.0 70.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.535 1.061 . . . . 0.0 113.608 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.89 -37.43 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 119.281 0.946 . . . . 0.0 111.284 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -29.35 70.49 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 126.274 1.83 . . . . 0.0 110.196 174.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.7 45.67 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 124.65 1.18 . . . . 0.0 109.829 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -54.24 -59.78 4.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.345 1.058 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.3 ptp -74.81 -21.32 59.36 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.814 1.245 . . . . 0.0 112.186 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -62.07 -40.86 97.25 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 172.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.35 68.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 128.042 2.734 . . . . 0.0 111.004 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.35 86.84 1.49 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 117.989 0.894 . . . . 0.0 112.001 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.97 -29.94 48.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.11 -0.994 . . . . 0.0 111.499 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -117.9 62.68 0.75 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.381 1.086 . . . . 0.0 109.108 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -144.85 15.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.199 165.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.11 -75.36 0.44 Allowed 'General case' 0 C--N 1.339 0.143 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -66.01 -58.52 5.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.893 0.769 . . . . 0.0 111.764 -173.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.78 -5.79 2.23 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -177.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -19.58 13.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.311 -1.328 . . . . 0.0 111.934 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.85 66.68 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 121.499 1.954 . . . . 0.0 109.968 174.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.99 -15.46 56.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.795 1.638 . . . . 0.0 110.455 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.1 ttm -107.81 -54.43 2.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.273 1.829 . . . . 0.0 109.502 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -51.77 14.32 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.905 1.23 . . . . 0.0 110.302 -170.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.12 -38.8 86.22 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.249 1.019 . . . . 0.0 109.319 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -18.36 62.34 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.036 -1.665 . . . . 0.0 112.572 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.23 73.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 120.781 -1.199 . . . . 0.0 109.196 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.31 3.57 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p 47.69 32.46 2.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.01 1.324 . . . . 0.0 113.107 -164.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -151.41 -59.25 0.17 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.256 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 130.243 3.417 . . . . 0.0 110.869 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.253 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.3 tpt -149.74 48.52 0.94 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -71.37 -38.81 71.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 120.365 -1.46 . . . . 0.0 111.978 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -160.13 104.41 1.49 Allowed 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.89 18.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 128.69 2.796 . . . . 0.0 106.546 -172.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 71.11 -31.06 0.22 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 129.726 3.21 . . . . 0.0 113.824 173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.48 60.62 1.66 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.938 1.295 . . . . 0.0 107.885 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.9 p -75.2 -92.81 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 p -94.04 35.16 1.18 Allowed 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.745 -1.222 . . . . 0.0 109.375 -171.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.67 -35.46 3.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 C-N-CA 124.538 1.135 . . . . 0.0 109.096 -175.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.255 35.2 m -61.79 -45.15 99.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 C-N-CA 123.201 0.601 . . . . 0.0 111.162 -167.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.42 -27.94 60.85 Favored 'General case' 0 N--CA 1.461 0.094 0 O-C-N 120.121 -1.612 . . . . 0.0 111.712 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.32 -15.43 63.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.569 0.748 . . . . 0.0 111.231 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -101.28 -0.26 36.05 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.975 1.71 . . . . 0.0 111.971 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.18 -69.55 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.94 0.896 . . . . 0.0 111.178 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -72.69 0.34 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -169.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -48.27 -33.55 8.92 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -41.74 -28.8 0.16 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 128.676 2.79 . . . . 0.0 113.192 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.06 -22.61 0.45 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.64 1.576 . . . . 0.0 113.427 161.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -77.55 -74.48 0.25 Allowed 'General case' 0 C--O 1.227 -0.089 0 O-C-N 120.849 -1.157 . . . . 0.0 110.639 -168.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.11 63.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 127.772 2.429 . . . . 0.0 107.568 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.51 120.84 6.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.518 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -51.88 75.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.485 3.114 . . . . 0.0 114.715 -158.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -137.28 53.96 1.86 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.05 2.14 . . . . 0.0 109.392 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -154.75 154.19 32.44 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.262 0.625 . . . . 0.0 110.122 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -34.02 13.73 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.432 0.693 . . . . 0.0 110.882 153.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -53.17 47.94 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 111.061 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.94 91.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.463 0.649 . . . . 0.0 110.086 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.05 73.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.184 1.393 . . . . 0.0 111.72 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.1 0.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.637 1.975 . . . . 0.0 113.458 166.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -28.3 1.62 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 120.98 1.718 . . . . 0.0 106.945 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.33 -35.4 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.452 167.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -53.39 -41.26 65.75 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.209 . . . . 0.0 111.737 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -39.5 49.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 128.687 2.795 . . . . 0.0 110.299 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -36.17 55.0 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.294 0.952 . . . . 0.0 110.619 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -66.47 -23.11 66.22 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 123.738 0.815 . . . . 0.0 112.417 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -47.5 11.95 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.483 -0.761 . . . . 0.0 109.929 169.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.87 -28.56 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 116.769 -1.586 . . . . 0.0 111.477 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -37.91 10.01 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 116.124 -1.893 . . . . 0.0 113.385 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.1 mt -110.75 52.37 0.74 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 119.943 1.247 . . . . 0.0 111.035 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.58 96.94 6.94 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.666 1.186 . . . . 0.0 109.694 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? 66.77 -58.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 128.352 2.661 . . . . 0.0 114.775 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.8 143.68 27.66 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 m -57.14 -20.49 26.31 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.83 0.741 . . . . 0.0 111.524 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -60.97 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.261 1.424 . . . . 0.0 110.396 162.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.29 -21.12 64.97 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.967 1.707 . . . . 0.0 112.765 -166.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 129.408 3.083 . . . . 0.0 110.918 163.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -58.76 -30.42 67.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -167.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -48.27 -55.64 10.04 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.425 1.49 . . . . 0.0 107.596 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.69 67.59 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.414 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.8 ttt -61.51 -20.88 63.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.552 2.341 . . . . 0.0 111.806 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.1 t -100.42 -21.41 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 119.604 1.093 . . . . 0.0 109.254 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 127.465 2.306 . . . . 0.0 112.884 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.85 -64.92 0.2 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.124 2.569 . . . . 0.0 110.425 170.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.21 -25.52 68.37 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.029 -1.462 . . . . 0.0 113.763 -172.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -63.67 -49.76 71.91 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.508 1.504 . . . . 0.0 110.926 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.3 p -75.96 -39.59 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.259 0.624 . . . . 0.0 110.632 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -32.3 73.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.973 1.709 . . . . 0.0 109.68 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -20.62 65.7 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 120.644 1.565 . . . . 0.0 110.613 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -52.65 64.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.2 ptp -71.32 -23.94 62.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -24.53 64.42 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.31 53.6 0.19 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 126.391 1.948 . . . . 0.0 110.909 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 172.42 13.75 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.828 1.314 . . . . 0.0 109.91 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 69' ' ' ASP . 5.9 m -80.63 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 157.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' H ' HG21 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -132.15 98.04 4.31 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -176.385 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -149.47 1.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 126.596 1.959 . . . . 0.0 111.13 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -66.27 -80.05 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 159.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.421 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -58.28 -52.53 65.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.988 1.315 . . . . 0.0 113.494 -162.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.512 ' CD2' ' H ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -70.04 -13.47 62.24 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 111.078 -178.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.71 -27.44 20.08 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 117.007 -1.473 . . . . 0.0 109.25 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.12 -21.4 22.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.36 1.891 . . . . 0.0 112.916 173.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -77.99 -61.73 1.9 Allowed 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 164.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.9 ttm -48.96 -45.84 42.61 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 117.648 -1.167 . . . . 0.0 112.628 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.04 -60.7 2.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.562 2.345 . . . . 0.0 109.6 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.41 -34.2 70.5 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 122.795 1.284 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -20.41 44.5 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 119.488 -2.008 . . . . 0.0 112.274 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -48.34 63.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 120.336 -1.478 . . . . 0.0 107.904 178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 2.9 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 -165.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.291 25.5 p 49.36 25.93 1.45 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.13 0.967 . . . . 0.0 111.523 -163.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -145.89 -82.06 0.14 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 -172.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--O 1.248 1.011 0 C-N-CA 129.396 3.078 . . . . 0.0 110.288 -174.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HE3' ' A' ' 4' ' ' LYS 0.256 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 . . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.428 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 25.3 ttm -78.45 86.69 4.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.479 1.512 . . . . 0.0 108.405 -170.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -75.36 -61.07 2.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.993 0.902 . . . . 0.0 110.327 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -161.3 110.41 1.59 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.185 1.394 . . . . 0.0 107.321 -159.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.91 -1.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 125.022 1.329 . . . . 0.0 109.612 -171.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt 69.9 138.34 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 129.557 3.143 . . . . 0.0 109.026 -172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.0 m 43.46 55.82 4.66 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.478 0.711 . . . . 0.0 110.83 -169.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -66.24 -85.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.119 0.961 . . . . 0.0 110.545 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -89.92 36.64 0.86 Allowed 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.61 -1.306 . . . . 0.0 110.094 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.62 -25.83 2.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 O-C-N 120.814 -1.179 . . . . 0.0 110.359 -173.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.269 33.3 m -53.27 -41.98 45.42 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 118.045 0.384 . . . . 0.0 111.614 -177.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.26 -31.71 66.02 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.593 -1.317 . . . . 0.0 112.446 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.06 -9.88 58.79 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.63 1.572 . . . . 0.0 112.504 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -117.84 1.25 12.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.887 1.275 . . . . 0.0 111.635 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.02 -54.5 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.75 -73.29 0.47 Allowed 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -28.45 36.05 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -172.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -51.59 -26.09 8.13 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.655 2.382 . . . . 0.0 111.45 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 -43.98 1.79 Allowed 'General case' 0 C--N 1.344 0.349 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 161.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -73.79 -25.09 59.96 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 121.313 1.869 . . . . 0.0 115.37 -164.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.6 -104.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.25 2.5 tt0 82.41 102.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.155 2.982 . . . . 0.0 110.871 175.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m 46.67 54.14 9.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.987 2.515 . . . . 0.0 112.62 169.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -91.91 -60.41 1.87 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.058 1.743 . . . . 0.0 110.99 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -161.69 157.22 24.11 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.563 1.545 . . . . 0.0 108.302 -175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -68.04 -8.28 36.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.143 166.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 HE21 ' A' ' 65' ' ' GLN . 44.2 tp -53.42 -48.31 68.84 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 120.787 1.63 . . . . 0.0 110.003 166.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -51.5 69.45 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.39 64.32 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 125.979 1.712 . . . . 0.0 112.619 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.43 -16.76 6.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.003 1.721 . . . . 0.0 112.291 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -112.71 -17.28 12.61 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.895 1.278 . . . . 0.0 112.65 171.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.24 -45.63 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.106 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.859 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.61 -56.09 3.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.313 1.415 . . . . 0.0 111.932 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.94 63.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.532 1.133 . . . . 0.0 112.2 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -42.58 80.4 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.172 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.35 -44.54 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -76.94 -28.66 55.3 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.93 -173.121 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.48 -26.81 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 126.246 1.818 . . . . 0.0 110.731 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -30.68 67.66 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 122.374 2.352 . . . . 0.0 113.116 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.19 53.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.789 0.681 . . . . 0.0 109.592 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.81 -61.88 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -130.67 -73.02 0.55 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.496 1.119 . . . . 0.0 108.946 -171.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.93 157.73 45.79 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 129.603 3.161 . . . . 0.0 104.116 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.9 m -58.47 -18.9 32.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.737 1.215 . . . . 0.0 112.032 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -71.49 -84.47 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.686 1.194 . . . . 0.0 108.288 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.26 -15.47 62.53 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -164.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.156 1.783 . . . . 0.0 110.468 160.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -35.11 65.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.889 0.476 . . . . 0.0 111.167 -171.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -48.31 -54.21 14.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.015 0.926 . . . . 0.0 109.804 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -69.23 -30.97 69.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.347 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 ttt -52.36 -33.74 44.38 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.896 1.225 . . . . 0.0 112.422 171.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.78 -47.67 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.7 t -59.8 -44.74 93.82 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -170.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -49.7 38.01 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.26 0.624 . . . . 0.0 110.993 173.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.76 -31.33 69.23 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.328 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -63.52 -41.34 98.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.288 1.035 . . . . 0.0 112.169 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.36 -37.54 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 121.702 -0.624 . . . . 0.0 110.798 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -29.82 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.349 -1.469 . . . . 0.0 110.263 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.73 -33.5 23.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 110.294 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -53.58 -66.14 0.44 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.77 1.228 . . . . 0.0 110.132 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.1 ptp -63.68 -26.82 68.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.749 1.22 . . . . 0.0 112.235 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.408 HE21 HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.9 -13.33 59.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 122.969 0.508 . . . . 0.0 111.207 175.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.6 41.52 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 C-N-CA 126.252 1.882 . . . . 0.0 110.958 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.59 55.74 1.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 119.183 1.491 . . . . 0.0 109.973 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 p -53.66 -34.69 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.727 -0.608 . . . . 0.0 111.648 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -97.64 77.66 2.58 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -146.13 30.22 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.752 156.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -108.61 -72.44 0.72 Allowed 'General case' 0 N--CA 1.462 0.141 0 O-C-N 121.229 -0.919 . . . . 0.0 109.579 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.96 -51.82 62.57 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.931 -1.106 . . . . 0.0 112.99 -173.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' CD2' ' H ' ' A' ' 73' ' ' LEU . 2.0 pt? -69.58 -0.18 6.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.518 1.127 . . . . 0.0 113.125 172.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 t -109.77 -11.08 14.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 115.563 -2.161 . . . . 0.0 110.608 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -29.46 7.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 121.361 1.891 . . . . 0.0 111.805 -171.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.32 -3.77 1.02 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.23 -1.27 10.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.087 1.355 . . . . 0.0 110.831 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 -65.71 1.03 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.026 1.331 . . . . 0.0 108.422 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.96 -47.46 65.57 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 125.267 1.427 . . . . 0.0 109.396 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -75.39 -12.59 60.29 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.09 -1.631 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.44 -51.72 58.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.922 0.889 . . . . 0.0 109.358 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.63 10.46 0.1 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.119 1.368 . . . . 0.0 111.197 -170.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.287 43.9 p 61.33 13.29 4.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.047 1.739 . . . . 0.0 114.326 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 -24.3 0.64 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.873 0.869 . . . . 0.0 113.232 -166.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.245 0.86 0 C-N-CA 127.973 2.509 . . . . 0.0 111.98 -161.011 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.54 0 CA-C-O 118.996 -0.525 . . . . 0.0 112.258 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.38 70.2 1.43 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -76.9 104.67 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 120.638 -1.289 . . . . 0.0 107.678 171.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.378 0.5 OUTLIER 47.21 115.1 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.043 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 -173.098 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.72 26.57 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.524 1.93 . . . . 0.0 108.273 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 76.91 -60.07 0.47 Allowed 'General case' 0 C--N 1.343 0.3 0 C-N-CA 128.961 2.904 . . . . 0.0 110.324 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -80.53 -2.79 47.6 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.39 1.076 . . . . 0.0 113.531 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -24.94 -74.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.871 2.868 . . . . 0.0 112.671 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 p -119.69 37.42 4.19 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.833 0.853 . . . . 0.0 110.265 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 m -94.53 -50.52 11.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.8 t -51.71 -66.9 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 C-N-CA 126.256 1.823 . . . . 0.0 110.551 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 tp -69.57 -28.51 66.04 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.919 -1.112 . . . . 0.0 110.95 -168.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.05 -7.0 46.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 -0.08 10.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.723 2.009 . . . . 0.0 111.82 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.74 -29.99 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 O-C-N 120.162 -1.586 . . . . 0.0 112.175 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 HH11 ' A' ' 23' ' ' ARG . 1.0 OUTLIER -108.0 -72.76 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.451 1.023 . . . . 0.0 108.685 -176.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -13.92 6.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -35.11 -38.39 0.09 Allowed 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 128.305 2.642 . . . . 0.0 112.318 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -26.4 0.9 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.658 0.783 . . . . 0.0 112.114 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.485 HH11 HD12 ' A' ' 19' ' ' LEU . 92.5 mtt180 -71.72 -44.96 63.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -155.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -121.19 -175.15 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.631 1.573 . . . . 0.0 108.722 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 95.63 111.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 1 C-N-CA 132.533 4.333 . . . . 0.0 109.693 -177.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -138.84 -76.03 0.37 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.29 1.036 . . . . 0.0 110.411 162.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -149.16 15.92 0.93 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.969 1.259 . . . . 0.0 112.939 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -108.85 153.28 23.74 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.874 1.215 . . . . 0.0 112.134 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -90.63 -8.76 49.21 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.656 1.183 . . . . 0.0 110.79 161.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -52.19 -49.29 64.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 120.747 1.612 . . . . 0.0 110.233 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -45.25 92.26 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.999 0.52 . . . . 0.0 112.173 174.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.88 66.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.335 1.054 . . . . 0.0 111.06 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.06 -20.35 65.82 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 117.959 -1.02 . . . . 0.0 112.969 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -92.98 -27.15 17.2 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 120.163 1.347 . . . . 0.0 111.98 163.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.265 0.4 OUTLIER -60.22 -44.81 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 119.71 1.141 . . . . 0.0 109.297 178.316 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.97 -52.46 33.41 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.358 1.436 . . . . 0.0 114.514 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.41 -17.5 64.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.659 1.584 . . . . 0.0 113.033 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -56.85 -29.69 63.11 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 121.781 2.082 . . . . 0.0 110.69 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -72.35 -5.78 38.74 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.971 0.908 . . . . 0.0 112.841 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -110.41 -36.9 5.66 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.345 -1.472 . . . . 0.0 112.982 176.414 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.41 -14.67 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 110.859 171.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -35.0 62.71 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 122.299 2.318 . . . . 0.0 110.479 170.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.8 58.33 0.61 Allowed 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.54 -48.71 9.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.354 -1.338 . . . . 0.0 110.32 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -151.58 -54.13 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.914 0.779 . . . . 0.0 112.489 -173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -155.1 160.02 40.66 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 129.194 2.998 . . . . 0.0 104.08 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.4 m -56.92 -34.31 67.82 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.052 1.751 . . . . 0.0 112.659 -174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -63.47 -74.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.38 -23.56 25.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.801 1.64 . . . . 0.0 113.032 -172.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.89 -81.57 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 126.773 2.029 . . . . 0.0 110.944 168.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -37.62 35.26 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 123.123 0.569 . . . . 0.0 110.914 -173.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 64.4 mt-10 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 126.717 2.007 . . . . 0.0 112.609 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -58.47 -35.4 72.12 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 120.587 1.539 . . . . 0.0 110.656 168.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -29.6 61.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.796 1.18 . . . . 0.0 109.915 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.1 m -76.93 -22.05 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 124.062 0.945 . . . . 0.0 111.497 170.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -83.41 -50.64 8.12 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.2 -42.99 3.2 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 119.428 1.013 . . . . 0.0 111.925 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -79.83 -23.45 42.02 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -61.46 -55.12 34.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.552 1.069 . . . . 0.0 111.893 165.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.57 -42.31 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.825 0.821 . . . . 0.0 109.54 -171.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.62 -27.5 62.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.746 1.218 . . . . 0.0 111.587 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -29.12 65.66 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 120.391 1.451 . . . . 0.0 109.831 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -49.55 -68.02 0.21 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.478 1.911 . . . . 0.0 109.454 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.92 -28.11 68.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.105 0.962 . . . . 0.0 112.014 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -21.84 65.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 0.677 . . . . 0.0 111.55 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.66 11.65 0.29 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-O 116.943 -2.032 . . . . 0.0 114.948 -173.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.26 97.09 10.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 121.427 2.614 . . . . 0.0 110.759 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -38.41 -56.37 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.339 1.855 . . . . 0.0 109.904 164.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -148.51 106.3 3.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -24.41 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 115.865 -2.017 . . . . 0.0 110.125 155.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -44.92 -64.01 0.8 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.74 1.609 . . . . 0.0 109.932 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.02 -49.75 68.96 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.084 0.553 . . . . 0.0 111.138 -175.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.17 -21.13 30.73 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.955 1.702 . . . . 0.0 112.036 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.97 -35.02 9.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 116.43 -1.747 . . . . 0.0 107.321 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -57.54 -33.44 68.1 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 121.642 2.019 . . . . 0.0 109.877 168.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.0 -1.32 5.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.861 1.664 . . . . 0.0 111.605 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.3 mtp -115.91 -41.47 3.19 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.762 2.025 . . . . 0.0 110.321 164.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.72 -70.61 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.219 1.827 . . . . 0.0 109.21 -166.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -34.76 49.17 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 126.041 1.736 . . . . 0.0 108.325 172.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -81.44 -16.44 52.05 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -49.47 40.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.494 1.497 . . . . 0.0 108.329 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 0.89 0.23 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.6 -159.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 p 53.83 22.5 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.565 1.075 . . . . 0.0 113.564 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -152.35 -45.7 0.1 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.117 1.767 . . . . 0.0 108.602 -172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.48 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HZ1' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.2 ttt -132.05 65.97 1.56 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -72.35 80.02 1.02 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.879 2.471 . . . . 0.0 110.024 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.324 0.4 OUTLIER 46.16 104.37 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 128.519 2.728 . . . . 0.0 115.032 -175.219 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 t -146.2 5.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 127.644 2.378 . . . . 0.0 108.984 -158.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 71.26 155.69 0.15 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 129.455 3.102 . . . . 0.0 109.118 -173.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER 49.14 -17.68 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 130.112 3.365 . . . . 0.0 118.932 -174.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -42.35 -69.12 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 C-N-CA 127.091 2.156 . . . . 0.0 111.825 -166.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -98.2 36.38 1.6 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.345 -0.847 . . . . 0.0 111.41 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.15 -41.04 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 123.944 0.897 . . . . 0.0 110.714 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.65 -46.98 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.923 0.783 . . . . 0.0 113.048 -169.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 2.9 tt -63.92 -42.42 97.4 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.416 0.686 . . . . 0.0 109.297 175.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.22 -12.69 54.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.431 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -103.72 1.69 32.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.497 1.519 . . . . 0.0 112.106 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -120.64 -85.35 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.031 1.333 . . . . 0.0 111.615 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -60.4 2.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.474 -1.392 . . . . 0.0 110.128 -168.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.93 -35.45 10.68 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 174.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -36.58 29.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.854 1.261 . . . . 0.0 111.242 -175.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.52 -6.88 4.68 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.82 -66.47 0.71 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.972 1.26 . . . . 0.0 111.433 -163.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' H ' ' A' ' 25' ' ' GLU 0.299 4.1 p -84.98 -160.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 167.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.456 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -142.81 177.14 8.54 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.311 1.845 . . . . 0.0 107.461 -176.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -78.46 -8.08 58.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.404 ' H ' ' HB3' ' A' ' 25' ' ' GLU . 3.3 t -86.16 172.54 10.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.517 1.053 . . . . 0.0 110.744 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t 64.7 135.55 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.843 2.857 . . . . 0.0 112.87 -168.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -82.18 -18.49 42.55 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 116.933 -1.508 . . . . 0.0 112.299 167.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.15 -47.36 81.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 120.934 1.697 . . . . 0.0 109.471 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -54.39 -56.18 21.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.213 1.005 . . . . 0.0 111.456 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.08 73.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 127.87 2.468 . . . . 0.0 112.459 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -57.28 -28.72 63.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.542 1.137 . . . . 0.0 110.755 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -32.09 17.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.744 1.618 . . . . 0.0 112.14 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.49 -41.08 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.102 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.92 -32.53 72.02 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.4 1.455 . . . . 0.0 112.958 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -46.99 80.2 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.913 0.885 . . . . 0.0 111.097 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.33 -33.71 21.25 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.495 1.043 . . . . 0.0 110.839 176.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -66.38 -19.64 65.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.562 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -38.12 10.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 126.534 1.933 . . . . 0.0 111.763 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.58 -20.4 24.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 125.288 1.435 . . . . 0.0 110.295 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -54.27 -35.65 62.78 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.452 2.301 . . . . 0.0 110.717 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD13 ' HZ1' ' A' ' 4' ' ' LYS . 48.2 mt -113.33 56.48 0.69 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 167.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.76 9.63 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -140.2 -75.41 0.34 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -137.8 161.98 35.16 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.175 1.79 . . . . 0.0 106.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -55.2 -34.92 64.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.753 1.615 . . . . 0.0 111.461 -170.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -60.86 -76.8 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.591 0.557 . . . . 0.0 110.043 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.82 -25.61 65.12 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.819 0.447 . . . . 0.0 111.808 -166.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.44 -83.46 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.779 2.032 . . . . 0.0 111.321 170.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -36.9 42.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.845 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.5 -54.17 47.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.822 0.849 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -55.99 -35.07 66.37 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.709 -1.244 . . . . 0.0 110.957 172.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -21.73 63.39 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.53 0.605 . . . . 0.0 110.145 -170.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.56 -41.7 29.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.862 1.265 . . . . 0.0 107.646 170.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -47.39 84.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.97 0.908 . . . . 0.0 111.89 -168.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -50.54 18.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.362 0.665 . . . . 0.0 112.4 172.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -23.91 63.15 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 116.636 -1.649 . . . . 0.0 112.6 -176.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.0 p -58.94 -50.61 73.4 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 121.085 1.766 . . . . 0.0 111.056 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.26 -30.8 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.073 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -32.86 74.39 Favored 'General case' 0 C--O 1.225 -0.195 0 O-C-N 120.836 -1.165 . . . . 0.0 110.167 170.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -30.52 65.84 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 120.456 1.48 . . . . 0.0 109.292 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -52.88 -63.13 1.25 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.661 1.185 . . . . 0.0 109.288 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.34 -25.4 65.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.173 0.589 . . . . 0.0 112.553 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -11.83 58.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.268 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.74 4.2 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.848 2.166 . . . . 0.0 113.228 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.22 50.27 1.69 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.42 1.11 . . . . 0.0 108.717 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -50.04 -27.08 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.854 1.262 . . . . 0.0 112.714 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 71' ' ' ASN . 6.7 m-20 -59.38 -52.41 65.75 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.272 1.829 . . . . 0.0 110.375 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tp -79.47 23.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 125.759 1.623 . . . . 0.0 110.346 -166.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.5 t-20 -79.55 -70.51 0.5 Allowed 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 160.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.35 -55.93 11.78 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.436 -1.415 . . . . 0.0 114.663 -163.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.608 ' H ' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -61.55 0.09 0.36 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.159 1.384 . . . . 0.0 113.184 171.193 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.97 -46.46 5.09 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 116.114 -1.898 . . . . 0.0 106.211 170.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.12 -25.14 12.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.547 1.976 . . . . 0.0 111.627 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -70.05 -70.14 0.31 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.602 0.761 . . . . 0.0 110.145 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.1 mmm -48.95 -40.39 30.11 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.017 1.327 . . . . 0.0 114.187 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.48 -51.0 21.99 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 127.036 2.134 . . . . 0.0 109.041 -173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.85 78.86 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 109.744 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -11.42 59.93 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 119.273 -2.142 . . . . 0.0 111.505 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -51.86 29.43 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.19 6.12 0.08 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.318 1.047 . . . . 0.0 112.396 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.7 p 57.41 30.34 18.43 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.469 1.508 . . . . 0.0 111.049 -173.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -161.0 -26.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -166.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.923 2.089 . . . . 0.0 112.146 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HZ2' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.37 91.26 8.06 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -77.37 78.25 3.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.397 0.279 . . . . 0.0 110.637 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 13.1 t0 65.09 151.55 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.744 2.418 . . . . 0.0 112.11 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 t -154.4 -4.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.93 2.092 . . . . 0.0 110.015 -156.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 5.4 mmtt 63.65 -20.66 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.49 3.116 . . . . 0.0 114.436 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.74 9.87 7.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.277 0.944 . . . . 0.0 112.453 -157.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 t -53.25 -50.74 64.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.741 0.417 . . . . 0.0 111.258 -169.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.9 m -105.54 39.52 1.73 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.666 0.786 . . . . 0.0 110.213 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.49 -55.17 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 152.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.35 2.4 m -57.85 -69.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 120.964 1.711 . . . . 0.0 112.979 -166.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.33 -32.7 74.49 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -175.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 HD21 HE21 ' A' ' 20' ' ' GLN . 0.8 OUTLIER -53.68 -21.49 7.1 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.636 1.974 . . . . 0.0 113.423 174.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -117.59 1.69 12.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.154 1.782 . . . . 0.0 112.943 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.92 -79.12 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.612 1.096 . . . . 0.0 108.689 168.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -55.1 3.86 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 123.358 1.551 . . . . 0.0 110.078 -158.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.446 HE21 HD21 ' A' ' 16' ' ' LEU . 6.5 pm0 -71.11 -3.47 20.09 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 128.242 2.617 . . . . 0.0 115.659 172.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -41.83 -52.87 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 164.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.16 -26.65 0.71 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.486 -1.245 . . . . 0.0 113.467 -174.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.48 -80.55 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 120.314 1.415 . . . . 0.0 109.353 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.1 t -68.59 134.93 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.94 2.496 . . . . 0.0 105.209 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.09 153.21 31.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.441 -170.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 -171.16 0.18 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.481 1.912 . . . . 0.0 113.415 166.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -77.37 -28.49 52.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.247 -0.908 . . . . 0.0 112.973 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.43 ' HG ' ' NE2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER 24.39 73.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.759 2.824 . . . . 0.0 114.475 161.432 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -57.37 -19.26 21.88 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.374 -1.454 . . . . 0.0 113.802 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.9 tp -47.57 -60.88 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.116 1.766 . . . . 0.0 110.808 163.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.432 ' HE1' ' NE2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -62.45 -45.61 92.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.947 0.899 . . . . 0.0 110.553 178.142 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.9 59.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.8 0.84 . . . . 0.0 112.173 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.23 -34.31 56.55 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.791 2.037 . . . . 0.0 113.278 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.47 -29.65 21.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.075 0.55 . . . . 0.0 110.338 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.99 -42.73 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.297 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.91 -25.8 61.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.272 1.396 . . . . 0.0 113.342 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -26.89 22.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.598 1.159 . . . . 0.0 111.483 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -32.57 49.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.357 1.435 . . . . 0.0 110.635 171.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.17 -21.33 64.9 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.496 1.518 . . . . 0.0 113.766 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -53.16 6.63 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 169.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.44 -26.89 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 115.731 -2.081 . . . . 0.0 114.028 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.48 17.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 123.412 2.824 . . . . 0.0 113.058 -176.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 2.0 mp -116.01 51.96 0.93 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.56 3.21 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -133.02 -59.45 0.88 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.646 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -155.63 165.54 36.25 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.153 -2.165 . . . . 0.0 105.153 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -62.37 -20.7 64.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.091 1.356 . . . . 0.0 113.758 -167.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.1 m -79.72 -67.9 0.72 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -51.27 -31.31 20.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.396 2.279 . . . . 0.0 113.187 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -72.83 0.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 130.042 3.337 . . . . 0.0 110.826 172.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -35.05 62.3 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.877 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 20.7 mt-10 -65.87 -35.81 81.69 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.399 2.279 . . . . 0.0 111.08 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.31 -40.46 86.3 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 118.948 -2.345 . . . . 0.0 109.574 163.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -23.74 59.29 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.329 1.452 . . . . 0.0 111.435 -166.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.0 m -76.18 -43.3 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 126.552 1.941 . . . . 0.0 107.657 171.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.1 p -58.76 -47.25 85.33 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -40.88 31.59 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.97 1.308 . . . . 0.0 112.131 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.59 -38.22 59.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.041 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.47 -25.19 67.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.047 0.939 . . . . 0.0 113.494 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 p -93.63 -2.21 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 126.156 1.782 . . . . 0.0 111.788 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.13 -26.69 11.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.135 1.774 . . . . 0.0 110.926 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.7 -30.77 34.02 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.534 1.061 . . . . 0.0 110.837 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -60.73 2.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.113 1.365 . . . . 0.0 110.318 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 ptp -73.23 -23.74 60.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.485 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' NE2' ' HG ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -62.28 -31.82 72.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 118.673 0.669 . . . . 0.0 109.243 176.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.64 41.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.56 1.076 . . . . 0.0 113.221 -173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.11 126.1 46.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.163 1.482 . . . . 0.0 108.192 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.52 -52.75 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 120.157 1.344 . . . . 0.0 109.134 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.53 96.77 3.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -170.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -134.13 -15.37 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 123.769 0.828 . . . . 0.0 112.217 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -59.74 -58.11 9.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.31 59.31 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.53 0.25 20.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.497 1.044 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.3 t -124.42 -17.16 6.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.496 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -26.6 12.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.743 1.611 . . . . 0.0 113.228 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.03 -18.95 61.92 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.039 -1.038 . . . . 0.0 110.778 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 tpt -91.61 -8.79 46.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.636 1.574 . . . . 0.0 110.772 172.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.92 -73.76 0.52 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 122.541 1.162 . . . . 0.0 109.884 -156.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.97 -37.2 78.92 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.81 2.444 . . . . 0.0 109.266 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -0.21 57.34 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 119.893 -1.754 . . . . 0.0 112.159 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -69.79 -57.04 5.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.367 -1.458 . . . . 0.0 108.846 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.7 13.32 0.34 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.524 1.13 . . . . 0.0 111.463 -173.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.25 15.4 p 53.58 42.91 31.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 0.0 110.492 -166.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -34.29 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -163.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.507 0.723 . . . . 0.0 111.581 178.217 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.95 20.06 19.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.93 2.092 . . . . 0.0 109.274 174.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p 47.64 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.077 1.751 . . . . 0.0 112.853 -168.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.75 130.33 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 128.938 2.895 . . . . 0.0 107.479 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -137.72 0.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.613 1.565 . . . . 0.0 109.824 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.313 4.6 mmmm 78.1 -60.14 0.42 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -88.76 84.97 6.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.662 0.785 . . . . 0.0 112.953 163.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -71.49 0.75 Allowed 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.109 0.563 . . . . 0.0 109.619 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -95.42 36.01 1.28 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.33 -1.481 . . . . 0.0 110.43 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.25 -38.43 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 120.75 -1.219 . . . . 0.0 109.976 -174.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.546 HG21 ' H ' ' A' ' 15' ' ' LEU . 1.9 m -47.07 -70.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 126.526 1.93 . . . . 0.0 109.173 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.546 ' H ' HG21 ' A' ' 14' ' ' VAL . 15.6 tp -57.15 -33.25 67.21 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.947 0.899 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -56.76 -26.24 57.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.974 1.709 . . . . 0.0 111.919 -178.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -110.07 3.69 20.55 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 130.817 3.647 . . . . 0.0 111.059 -174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.2 t -105.76 -86.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.944 1.298 . . . . 0.0 109.816 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.41 -61.6 1.8 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -173.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.621 HE21 HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -62.78 -4.21 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -47.54 -26.91 1.57 Allowed 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 126.916 2.086 . . . . 0.0 114.897 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 1.49 ' CD1' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -163.29 -28.94 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.869 1.667 . . . . 0.0 108.786 177.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.419 1.488 . . . . 0.0 112.694 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG11 HE21 ' A' ' 65' ' ' GLN . 40.4 t -100.73 126.54 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 175.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -55.81 -30.16 60.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.084 1.354 . . . . 0.0 112.233 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t 91.82 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.817 2.447 . . . . 0.0 110.078 166.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -130.98 170.11 14.91 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.785 0.834 . . . . 0.0 110.547 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m 44.4 -167.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.77 1.628 . . . . 0.0 112.729 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.14 -6.26 16.53 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.622 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.77 -60.97 2.19 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 121.005 1.73 . . . . 0.0 108.848 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.427 ' CG ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -70.5 -40.12 73.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 120.448 -1.407 . . . . 0.0 110.857 -177.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.64 -24.14 60.54 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.243 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -58.27 -31.6 67.6 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.829 2.052 . . . . 0.0 111.174 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 m -85.53 -35.47 21.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 118.82 -0.609 . . . . 0.0 111.386 168.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 119.405 1.002 . . . . 0.0 111.609 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -53.62 -44.98 69.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.342 1.057 . . . . 0.0 109.685 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -38.37 66.39 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 117.412 -1.28 . . . . 0.0 108.543 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -37.67 61.92 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 121.195 1.816 . . . . 0.0 111.267 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.9 -31.64 71.96 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.045 0.938 . . . . 0.0 110.861 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 3.2 m-20 -87.53 -36.98 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.58 1.152 . . . . 0.0 110.389 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.45 -30.03 13.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 CA-C-N 120.268 1.395 . . . . 0.0 111.063 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -28.69 15.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 121.081 1.764 . . . . 0.0 113.922 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.19 49.54 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.506 0.504 . . . . 0.0 111.743 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.79 -45.0 10.71 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.518 -0.739 . . . . 0.0 110.888 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -147.14 -62.57 0.28 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.04 153.32 42.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 127.4 2.28 . . . . 0.0 106.475 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 m -61.01 -23.69 65.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.706 2.503 . . . . 0.0 112.213 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.8 m -67.74 -86.55 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 167.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.31 -35.18 1.4 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.328 2.251 . . . . 0.0 115.187 -173.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.472 1.509 . . . . 0.0 112.188 167.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -36.53 32.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.545 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.54 -58.22 5.01 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -72.94 -23.33 60.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.265 0.626 . . . . 0.0 112.397 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -23.3 67.23 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.47 -1.394 . . . . 0.0 111.272 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.6 t -83.49 -35.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.078 0 CA-C-O 116.987 -1.482 . . . . 0.0 108.14 171.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -55.7 -52.51 63.64 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.573 1.533 . . . . 0.0 112.299 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -49.64 6.75 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.255 0.622 . . . . 0.0 110.107 174.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.621 HD12 HE21 ' A' ' 20' ' ' GLN . 0.4 OUTLIER -70.68 -39.1 73.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.439 -178.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -26.81 54.74 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.136 2.174 . . . . 0.0 112.111 174.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -107.43 -2.59 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.806 1.242 . . . . 0.0 110.84 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 31' ' ' TRP . 2.9 tm? -104.86 -31.27 9.36 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 120.16 -1.587 . . . . 0.0 110.03 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -61.42 -20.26 62.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -49.74 -70.83 0.08 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 129.795 3.238 . . . . 0.0 112.12 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptm -66.03 -30.05 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.008 0.523 . . . . 0.0 111.158 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.466 HE21 HG11 ' A' ' 24' ' ' VAL . 7.9 mm100 -60.53 -27.78 67.9 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.676 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.34 54.34 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.68 1.133 . . . . 0.0 112.033 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.63 105.08 5.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 123.661 1.696 . . . . 0.0 111.166 171.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.345 7.6 p -82.46 -11.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.882 -1.136 . . . . 0.0 111.152 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -137.08 82.03 1.91 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.333 1.853 . . . . 0.0 106.56 -168.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.0 tp -160.19 17.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 123.509 0.723 . . . . 0.0 111.21 170.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -88.79 -62.29 1.52 Allowed 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -81.03 -45.86 15.9 Favored 'General case' 0 C--O 1.219 -0.531 0 O-C-N 121.762 -0.586 . . . . 0.0 111.469 -168.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -2.86 13.93 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.904 -1.747 . . . . 0.0 112.549 173.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.93 -26.09 9.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 117.028 -1.463 . . . . 0.0 110.628 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -34.55 20.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 120.19 1.359 . . . . 0.0 108.797 175.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.74 -7.86 48.02 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.311 1.844 . . . . 0.0 113.891 -176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 mtt -121.13 1.82 10.34 Favored 'General case' 0 N--CA 1.469 0.495 1 C-N-CA 134.244 5.018 . . . . 0.0 113.344 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -132.72 -73.87 0.5 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.97 -53.22 60.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 128.129 2.572 . . . . 0.0 108.391 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -76.24 -8.78 57.81 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 119.011 -2.306 . . . . 0.0 113.771 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -64.59 -60.08 3.54 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 120.081 1.309 . . . . 0.0 108.25 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.25 11.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.309 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.303 1.8 p 62.53 20.21 11.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.065 1.346 . . . . 0.0 112.842 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 tp -156.89 -61.5 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.105 0.562 . . . . 0.0 110.067 -163.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? . . . . . 0 C--O 1.256 1.412 0 C-N-CA 128.045 2.538 . . . . 0.0 111.05 176.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.98 123.32 26.66 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.618 0.767 . . . . 0.0 109.285 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -68.96 -45.38 70.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.249 0.62 . . . . 0.0 110.874 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -152.57 171.26 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 120.887 -1.133 . . . . 0.0 111.396 168.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.2 65.65 1.45 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.451 1.9 . . . . 0.0 110.392 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -92.2 104.03 16.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.598 1.959 . . . . 0.0 109.489 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.373 3.2 p30 44.93 104.22 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 130.217 3.407 . . . . 0.0 114.244 -178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -147.07 24.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 130.147 3.379 . . . . 0.0 106.042 -163.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 72.46 -57.97 0.61 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 131.202 3.801 . . . . 0.0 111.106 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 m -119.96 45.27 2.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.698 1.599 . . . . 0.0 112.24 -161.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.4 m -47.32 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.342 1.857 . . . . 0.0 112.238 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.79 37.38 2.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.103 0.961 . . . . 0.0 110.563 -162.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -122.36 -49.94 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.255 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.275 34.8 m -49.27 -51.99 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -168.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.35 -27.9 59.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.058 -1.026 . . . . 0.0 111.799 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.23 -33.67 76.28 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 t -77.28 -2.8 36.63 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.77 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -121.14 -62.54 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.549 1.522 . . . . 0.0 110.785 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -76.0 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.881 -1.137 . . . . 0.0 111.426 -167.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.76 -11.67 1.05 Allowed 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -35.18 31.94 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.019 173.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -35.02 0.49 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.81 -1.091 . . . . 0.0 113.652 171.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -65.27 -73.54 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.138 1.336 . . . . 0.0 110.234 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 p -92.23 125.05 44.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 126.71 2.004 . . . . 0.0 106.131 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.8 -76.17 0.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -165.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -171.94 154.31 3.47 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.281 1.432 . . . . 0.0 107.15 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.9 m 35.67 86.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.404 2.282 . . . . 0.0 114.175 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.34 110.11 10.34 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 163.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -51.86 -32.57 32.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.451 1.023 . . . . 0.0 110.871 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -50.5 -63.39 1.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.439 1.496 . . . . 0.0 109.754 170.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -39.53 94.19 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.567 -1.333 . . . . 0.0 111.564 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.0 -27.7 67.1 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.155 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -18.75 35.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.669 1.588 . . . . 0.0 112.802 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -110.74 -28.99 8.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.142 1.377 . . . . 0.0 111.877 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -25.62 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 119.452 1.024 . . . . 0.0 111.16 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.196 0.907 . . . . 0.0 109.149 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.26 73.48 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.065 -1.022 . . . . 0.0 110.648 -170.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -32.47 38.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.025 -0.988 . . . . 0.0 112.729 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -66.74 -35.79 80.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.447 1.021 . . . . 0.0 110.23 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.53 -41.52 24.03 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.303 1.441 . . . . 0.0 108.172 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mm -49.29 -24.29 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.427 2.291 . . . . 0.0 113.401 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -31.54 67.58 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 122.866 2.575 . . . . 0.0 113.41 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 57.6 mt -107.54 54.73 0.66 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.15 0.98 . . . . 0.0 108.631 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 -40.83 12.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.453 0.471 . . . . 0.0 111.432 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -153.32 -74.23 0.13 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -163.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -151.1 161.17 43.23 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -55.04 -30.19 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.088 1.355 . . . . 0.0 112.651 -168.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -68.1 -77.46 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.801 0.84 . . . . 0.0 108.875 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.3 -24.14 67.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 112.607 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.47 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.396 1.878 . . . . 0.0 111.526 165.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.53 53.33 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.011 0.524 . . . . 0.0 110.91 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.24 -54.09 35.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.469 1.108 . . . . 0.0 110.413 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -21.89 63.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 122.073 -0.392 . . . . 0.0 110.039 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -29.73 70.87 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.784 -1.198 . . . . 0.0 109.23 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.73 -33.07 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.887 1.675 . . . . 0.0 108.984 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.6 t -52.72 -67.57 0.24 Allowed 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.777 1.231 . . . . 0.0 111.323 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -35.46 -61.56 0.44 Allowed 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.941 1.697 . . . . 0.0 112.114 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.21 -29.96 70.13 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -72.18 -35.1 68.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.585 0.629 . . . . 0.0 110.862 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -48.03 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.228 1.011 . . . . 0.0 109.387 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -27.63 65.91 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.497 2.319 . . . . 0.0 112.437 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.95 -21.88 66.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.985 -1.072 . . . . 0.0 109.777 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 m -57.23 -65.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.244 1.017 . . . . 0.0 110.57 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.41 -31.6 67.86 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.433 1.015 . . . . 0.0 110.855 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.52 -23.58 67.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.296 0.638 . . . . 0.0 111.493 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.17 14.48 0.09 OUTLIER Glycine 0 CA--C 1.532 1.122 0 CA-C-O 117.819 -1.545 . . . . 0.0 114.966 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.75 148.22 41.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.967 2.384 . . . . 0.0 112.273 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -120.15 -44.08 2.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 125.639 1.576 . . . . 0.0 108.506 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.51 90.44 3.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -140.12 10.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 O-C-N 121.606 -0.684 . . . . 0.0 111.31 156.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -81.35 -80.33 0.15 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.235 -1.386 . . . . 0.0 109.004 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.37 -61.78 2.11 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -163.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.56 0.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.544 2.338 . . . . 0.0 115.586 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.5 -27.34 6.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 116.582 -1.675 . . . . 0.0 108.353 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.24 -21.6 0.29 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 127.318 2.247 . . . . 0.0 113.588 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.48 -6.89 1.78 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 169.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -120.37 -2.43 10.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.238 1.415 . . . . 0.0 110.499 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.24 -68.28 0.93 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.982 1.713 . . . . 0.0 107.125 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.67 -35.89 79.69 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 120.614 -1.304 . . . . 0.0 110.857 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -90.69 6.65 43.13 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.757 -1.839 . . . . 0.0 111.382 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -74.58 -54.51 7.33 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.265 -1.522 . . . . 0.0 109.587 156.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.1 -4.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -154.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.273 15.0 p 52.16 27.01 4.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.393 1.877 . . . . 0.0 111.935 -166.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.55 -39.11 0.08 Allowed 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.253 -161.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.244 0.802 0 C-N-CA 127.007 2.123 . . . . 0.0 112.4 -148.182 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.727 0 CA-C-O 118.751 -1.027 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 -19.59 1.14 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.67 1.188 . . . . 0.0 112.348 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.89 162.64 41.04 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.234 1.413 . . . . 0.0 108.307 165.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.2 -44.38 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.479 1.512 . . . . 0.0 109.366 171.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.91 134.42 34.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.101 1.76 . . . . 0.0 106.553 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -69.91 -167.16 0.14 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.548 0.613 . . . . 0.0 111.283 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -61.84 132.63 53.7 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 149.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.28 18.6 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 130.134 3.374 . . . . 0.0 105.156 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? 74.84 -48.12 0.64 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 131.569 3.948 . . . . 0.0 110.459 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.6 p -90.4 63.66 5.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.999 -173.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 p -60.42 -82.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.928 0.785 . . . . 0.0 110.261 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -121.92 38.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.973 -1.079 . . . . 0.0 110.526 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 16.3 m -117.6 -26.33 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.509 -163.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.256 1.2 m -74.16 -33.82 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.043 1.292 . . . . 0.0 110.352 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.77 -30.01 67.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -3.98 8.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.762 2.025 . . . . 0.0 112.092 168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -119.58 -1.6 10.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.831 2.052 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -112.83 -56.86 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 125.105 1.362 . . . . 0.0 110.758 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -69.8 0.8 Allowed 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.355 -0.841 . . . . 0.0 109.147 -155.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -26.44 0.55 Allowed 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 125.504 1.522 . . . . 0.0 113.74 162.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.34 -32.91 5.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.14 1.776 . . . . 0.0 111.407 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -35.28 0.54 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.127 0.971 . . . . 0.0 113.574 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.94 -73.84 0.44 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -87.96 54.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.501 1.52 . . . . 0.0 108.581 173.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.6 60.56 1.67 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.156 -0.965 . . . . 0.0 110.649 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -152.94 138.06 17.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.372 -0.83 . . . . 0.0 109.639 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -77.12 127.1 32.05 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.992 0.917 . . . . 0.0 108.982 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 t -165.03 141.58 5.74 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.83 -32.98 69.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.331 0.968 . . . . 0.0 111.042 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tt -44.76 -74.36 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.273 1.829 . . . . 0.0 109.931 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.02 73.1 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.083 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.25 -16.57 60.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.275 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -25.04 67.95 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.701 1.592 . . . . 0.0 111.922 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HG ' ' HB2' ' A' ' 61' ' ' LEU . 84.0 m -101.11 -29.65 12.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 111.024 171.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -25.08 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 118.915 -1.114 . . . . 0.0 111.013 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -61.99 -58.82 6.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.737 1.608 . . . . 0.0 109.394 166.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -32.17 70.01 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.665 1.186 . . . . 0.0 111.397 -170.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -30.67 56.81 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.91 -1.119 . . . . 0.0 112.477 176.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -14.88 61.43 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.581 1.552 . . . . 0.0 112.2 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -54.23 5.53 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 162.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -46.47 -33.4 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 115.158 -2.354 . . . . 0.0 113.557 -170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.11 -39.01 2.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 122.994 2.634 . . . . 0.0 112.842 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -111.59 54.81 0.68 Allowed 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.7 5.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -140.44 -54.22 0.51 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.777 0.831 . . . . 0.0 111.058 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -149.42 157.86 43.67 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 129.028 2.931 . . . . 0.0 103.665 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.3 m -51.14 -43.42 61.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.999 1.32 . . . . 0.0 111.515 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 m -74.3 -65.17 0.88 Allowed 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.373 1.045 . . . . 0.0 108.999 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.9 -23.69 54.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.217 1.807 . . . . 0.0 114.139 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.09 -70.27 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.814 2.446 . . . . 0.0 110.112 166.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.62 -47.01 14.77 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.433 1.093 . . . . 0.0 110.892 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -49.89 -53.47 25.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.836 1.654 . . . . 0.0 109.745 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.25 -31.55 72.77 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.198 -0.939 . . . . 0.0 112.158 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -35.15 75.67 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.617 1.567 . . . . 0.0 113.161 173.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -73.85 -32.72 35.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 123.946 0.898 . . . . 0.0 110.295 168.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -68.42 -46.76 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -48.99 24.92 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 118.129 -0.938 . . . . 0.0 112.073 173.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.26 14.8 mt -64.5 -33.57 76.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.532 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -40.55 93.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.715 1.143 . . . . 0.0 113.658 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.7 -42.43 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.789 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' HB2' ' HG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -57.3 -27.94 62.62 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.906 1.682 . . . . 0.0 110.863 175.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -53.67 -14.12 0.82 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.273 174.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -33.66 -55.07 0.45 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 128.929 2.892 . . . . 0.0 111.098 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -85.21 -52.28 6.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.075 0.95 . . . . 0.0 110.643 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 7.1 mm100 -53.34 -27.08 21.57 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.337 1.055 . . . . 0.0 112.793 -168.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.3 31.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 CA-C-O 117.92 -1.489 . . . . 0.0 115.734 -169.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.28 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.114 1.957 . . . . 0.0 114.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.299 10.3 m 38.78 -62.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.648 1 C-N-CA 132.271 4.228 . . . . 0.0 112.986 -144.286 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.3 53.86 0.4 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.329 2.252 . . . . 0.0 110.136 168.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tp -141.62 15.29 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 O-C-N 120.117 -1.614 . . . . 0.0 111.894 170.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.33 -71.73 0.73 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.587 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -56.27 6.62 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.553 1.07 . . . . 0.0 111.105 -171.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.78 1.56 0.25 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.8 t -112.52 -15.76 13.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.742 -2.075 . . . . 0.0 109.328 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -21.92 43.81 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 122.159 2.254 . . . . 0.0 112.118 -167.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -55.74 -6.72 0.23 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 166.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttp -114.23 -17.39 11.87 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 121.137 1.79 . . . . 0.0 110.131 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.92 -73.42 0.65 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.459 1.903 . . . . 0.0 108.106 -171.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.47 -47.03 63.28 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.011 1.324 . . . . 0.0 110.245 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.68 -12.24 60.01 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 120.435 -1.416 . . . . 0.0 112.881 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -65.9 -50.46 64.38 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.415 0.552 . . . . 0.0 110.304 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.73 1.18 0.16 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.428 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.251 23.2 p 49.39 28.45 2.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.86 1.264 . . . . 0.0 112.594 -166.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.72 -41.99 0.14 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.095 1.358 . . . . 0.0 111.207 -168.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.024 1.73 . . . . 0.0 109.297 170.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.84 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -69.69 -98.58 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 140.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -26.03 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 130.65 3.58 . . . . 0.0 110.984 162.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -133.65 -18.51 2.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.51 1.524 . . . . 0.0 112.82 -171.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.31 36.78 0.59 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -71.88 -36.07 69.96 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 120.911 -1.118 . . . . 0.0 113.78 -157.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -153.79 110.27 3.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 167.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.37 17.05 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.379 2.672 . . . . 0.0 106.777 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt 61.83 92.69 0.05 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 129.346 3.058 . . . . 0.0 109.055 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m 102.93 -11.29 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.398 3.079 . . . . 0.0 114.037 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -37.43 -57.4 0.92 Allowed 'General case' 0 C--O 1.242 0.703 0 C-N-CA 126.056 1.742 . . . . 0.0 112.725 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -100.72 35.9 2.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.265 -0.897 . . . . 0.0 110.963 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.65 -31.82 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.225 1.41 . . . . 0.0 111.605 170.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.22 -43.06 75.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.531 0.681 . . . . 0.0 112.641 -171.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.52 -28.0 56.2 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 120.965 -1.085 . . . . 0.0 110.425 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.58 -10.23 50.11 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 126.038 1.735 . . . . 0.0 111.551 170.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -117.32 0.49 12.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.263 1.392 . . . . 0.0 112.712 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.06 -50.18 4.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 O-C-N 121.232 -0.917 . . . . 0.0 110.682 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.97 -69.78 0.67 Allowed 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.408 1.004 . . . . 0.0 109.873 -171.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -24.14 19.76 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -44.15 -45.36 8.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.396 1.878 . . . . 0.0 111.221 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -134.97 -38.06 0.79 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.296 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -71.41 -76.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.021 1.282 . . . . 0.0 109.386 -174.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.3 51.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.853 0.835 . . . . 0.0 109.617 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 88.12 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 169.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -155.3 168.82 25.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.827 1.251 . . . . 0.0 108.971 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.2 m -76.23 -174.85 2.94 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.085 0.554 . . . . 0.0 109.642 162.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t 95.54 122.36 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 C-N-CA 129.738 3.215 . . . . 0.0 109.628 172.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.65 0.48 5.43 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 117.803 -1.094 . . . . 0.0 111.659 167.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.55 -55.42 25.76 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 120.858 1.663 . . . . 0.0 109.222 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.78 -45.65 82.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.048 0.539 . . . . 0.0 111.612 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.28 68.99 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -20.17 61.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.614 1.566 . . . . 0.0 112.579 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.67 -26.34 12.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.201 1.401 . . . . 0.0 111.54 172.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -41.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.133 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -50.04 -52.39 34.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.499 1.499 . . . . 0.0 110.566 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.4 -28.93 69.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 120.829 -1.169 . . . . 0.0 111.987 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -37.84 64.16 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.439 1.472 . . . . 0.0 111.121 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -14.16 60.83 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 118.266 0.484 . . . . 0.0 111.458 -174.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -82.58 -43.6 16.86 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.756 1.222 . . . . 0.0 109.189 167.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.16 -20.96 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 116.216 -1.849 . . . . 0.0 113.185 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -18.38 11.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 123.411 2.823 . . . . 0.0 114.486 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.97 58.96 0.8 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.75 1.34 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? 67.81 -68.88 0.15 Allowed 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.492 1.917 . . . . 0.0 111.221 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -112.38 -168.03 1.26 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.948 2.099 . . . . 0.0 108.545 -167.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -94.59 -36.8 11.65 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 162.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.5 m -70.19 -72.49 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.015 -171.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.71 -25.47 66.44 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.507 0.594 . . . . 0.0 111.099 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.45 -76.43 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.877 2.471 . . . . 0.0 111.08 167.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -38.85 61.24 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.269 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 71.2 mt-10 -59.14 -46.05 89.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.962 1.705 . . . . 0.0 110.845 176.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.03 -36.35 70.35 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.561 1.073 . . . . 0.0 109.504 170.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.39 57.04 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 109.445 -172.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.4 m -83.93 -19.27 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.634 1.173 . . . . 0.0 110.734 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.417 ' CA ' HE22 ' A' ' 85' ' ' GLN . 34.4 t -73.16 -55.79 5.99 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 111.782 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -53.03 4.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.941 1.296 . . . . 0.0 110.972 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.75 -22.85 66.04 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -53.64 50.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 120.288 1.404 . . . . 0.0 110.813 168.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.45 -38.7 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 122.019 -0.426 . . . . 0.0 110.418 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -27.61 68.67 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.127 1.371 . . . . 0.0 111.003 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.37 -22.67 63.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.15 1.341 . . . . 0.0 111.378 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -56.84 -63.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.856 1.662 . . . . 0.0 110.695 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.2 ptp -61.75 -30.54 70.85 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.825 -0.547 . . . . 0.0 110.922 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -8.76 51.54 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.853 -1.07 . . . . 0.0 112.555 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.57 26.64 1.74 Allowed Glycine 0 CA--C 1.529 0.934 0 CA-C-N 120.267 1.394 . . . . 0.0 114.328 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.56 155.57 24.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 118.908 1.354 . . . . 0.0 109.719 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.04 -30.48 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 123.75 0.82 . . . . 0.0 110.18 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.87 -106.24 0.06 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.444 ' H ' HD23 ' A' ' 73' ' ' LEU 0.298 7.3 tp 46.94 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.084 1 C-N-CA 132.331 4.252 . . . . 0.0 112.818 -171.324 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -119.64 -81.05 0.63 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -61.89 -53.59 53.63 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 119.976 1.262 . . . . 0.0 112.842 -172.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -66.54 1.06 1.86 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.419 -2.05 . . . . 0.0 113.814 173.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.15 -21.45 11.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.217 1.807 . . . . 0.0 111.008 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -20.39 65.43 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 120.302 1.41 . . . . 0.0 109.777 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.42 -9.72 50.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 111.576 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 -11.92 8.58 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 126.446 1.899 . . . . 0.0 113.558 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 mt -98.73 -61.55 1.36 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -50.04 75.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.79 5.27 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.085 1.354 . . . . 0.0 114.328 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -72.41 -53.51 12.04 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 119.625 -1.922 . . . . 0.0 108.898 165.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.12 8.03 0.92 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.312 1.045 . . . . 0.0 113.253 -161.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.265 68.9 p 53.87 19.43 1.94 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.149 1.78 . . . . 0.0 113.468 -162.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.39 -71.69 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.619 1.168 . . . . 0.0 109.513 -172.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.466 HE21 HG23 ' A' ' 55' ' ' VAL . 15.7 tm0? . . . . . 0 C--O 1.244 0.805 0 C-N-CA 131.13 3.772 . . . . 0.0 114.292 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.53 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -77.36 138.03 39.08 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -54.24 101.75 0.05 OUTLIER 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.307 1.043 . . . . 0.0 111.361 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.64 174.18 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.47 1.508 . . . . 0.0 109.671 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.35 56.06 7.99 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.206 1.402 . . . . 0.0 110.172 174.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -54.32 -72.01 0.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.462 1.505 . . . . 0.0 110.022 174.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.16 133.26 27.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.94 0.896 . . . . 0.0 109.046 171.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.84 15.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 127.866 2.466 . . . . 0.0 107.428 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt 71.74 -70.93 0.14 Allowed 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 128.526 2.73 . . . . 0.0 108.423 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -76.67 4.71 8.89 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -167.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 p -41.41 -55.67 2.72 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 127.148 2.179 . . . . 0.0 112.022 -172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -118.82 39.03 3.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.173 0.989 . . . . 0.0 111.421 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.31 -39.08 3.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.925 162.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.268 3.3 m -47.75 -59.41 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.215 1.37 . . . . 0.0 112.562 -173.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -68.51 -33.24 73.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.251 -0.906 . . . . 0.0 112.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.94 -16.25 63.98 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.828 -0.606 . . . . 0.0 112.286 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -102.52 1.72 35.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.374 1.87 . . . . 0.0 112.124 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -110.6 -78.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.728 1.211 . . . . 0.0 109.093 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -63.85 1.07 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 119.597 1.089 . . . . 0.0 109.605 -165.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -12.72 15.23 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -174.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.99 -40.53 6.54 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 125.595 1.558 . . . . 0.0 108.114 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -139.19 -37.58 0.51 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.904 1.682 . . . . 0.0 113.664 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -27.93 39.61 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -159.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.12 134.49 36.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 104.092 -2.559 . . . . 0.0 104.092 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.77 -151.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 120.382 1.447 . . . . 0.0 109.722 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -32.06 70.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.003 -1.061 . . . . 0.0 111.585 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 m 47.08 -161.37 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.999 2.12 . . . . 0.0 113.175 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -79.62 161.39 25.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 164.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -60.44 -18.09 48.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.795 -0.622 . . . . 0.0 112.61 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -40.26 -51.2 2.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.052 1.741 . . . . 0.0 112.655 166.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.23 90.63 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.596 1.188 . . . . 0.0 109.602 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.42 65.48 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.497 1.119 . . . . 0.0 112.666 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.37 61.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.295 0.952 . . . . 0.0 112.05 174.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.46 -28.67 10.18 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.937 0.895 . . . . 0.0 110.964 170.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -20.74 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 121.326 -0.859 . . . . 0.0 111.535 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -14.0 60.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.367 1.867 . . . . 0.0 114.619 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -23.0 6.05 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.191 2.596 . . . . 0.0 108.473 -165.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -49.38 -31.04 8.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.011 -2.306 . . . . 0.0 112.378 171.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -34.49 74.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.095 1.758 . . . . 0.0 111.536 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -39.9 94.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.049 1.34 . . . . 0.0 109.082 168.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -73.85 -20.67 17.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 O-C-N 119.122 -2.236 . . . . 0.0 111.156 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.45 -22.44 65.05 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.873 -1.767 . . . . 0.0 114.136 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.77 48.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 171.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 -39.11 48.33 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.11 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -156.35 -72.35 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.2 156.36 48.8 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 128.847 2.859 . . . . 0.0 106.147 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.9 m -50.3 -34.4 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.808 1.243 . . . . 0.0 112.387 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -67.9 -78.55 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.637 1.575 . . . . 0.0 109.877 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -57.33 -25.36 59.23 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.6 1.16 . . . . 0.0 111.661 -171.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.646 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -36.17 52.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.551 0.34 . . . . 0.0 110.956 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.41 -54.66 42.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.522 0.729 . . . . 0.0 110.816 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -61.09 -32.25 71.91 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ttt -53.42 -36.96 62.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.467 1.507 . . . . 0.0 113.849 168.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.01 -23.41 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.11 0.964 . . . . 0.0 109.4 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 p -63.37 -61.22 2.49 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.069 0.947 . . . . 0.0 112.021 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -57.02 2.77 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 126.759 2.024 . . . . 0.0 110.876 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mp -68.18 -23.91 64.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -173.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 m -69.11 -42.73 75.7 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.766 0.712 . . . . 0.0 111.593 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.11 -34.02 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 122.074 -0.391 . . . . 0.0 111.325 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -30.33 70.58 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 119.657 -1.902 . . . . 0.0 110.375 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -26.83 63.69 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.67 -0.644 . . . . 0.0 110.674 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 t -51.67 -59.51 4.2 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.091 1.356 . . . . 0.0 109.515 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.48 -31.17 66.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.766 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -58.46 -28.07 64.98 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.168 0.587 . . . . 0.0 110.193 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.71 0.2 0.14 Allowed Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.473 1.511 . . . . 0.0 113.919 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.15 87.09 4.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 119.29 1.545 . . . . 0.0 110.72 -161.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.7 m -46.36 -45.14 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.73 1.612 . . . . 0.0 112.629 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.01 118.75 19.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 167.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -150.31 12.73 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.856 0.863 . . . . 0.0 112.863 160.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -60.75 1.85 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 119.858 1.208 . . . . 0.0 108.084 164.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -54.98 -71.05 0.09 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.917 -170.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -61.6 -1.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 120.216 -1.552 . . . . 0.0 115.008 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.96 -13.29 17.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.926 -1.988 . . . . 0.0 109.366 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -32.1 6.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.758 2.023 . . . . 0.0 111.767 -169.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.12 -4.54 0.52 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 128.634 2.774 . . . . 0.0 114.595 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.52 -5.96 9.77 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.266 1.826 . . . . 0.0 111.468 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 -65.81 0.96 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.127 1.371 . . . . 0.0 109.592 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.54 -36.35 75.97 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.872 1.269 . . . . 0.0 109.471 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.97 -16.33 57.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.161 -0.962 . . . . 0.0 113.173 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -70.9 -39.81 72.56 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 122.82 0.448 . . . . 0.0 111.888 -167.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.82 6.12 0.06 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 125.986 2.054 . . . . 0.0 110.854 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.274 18.1 p 59.75 18.72 7.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.826 1.193 . . . . 0.0 113.142 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.41 -24.24 0.73 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.081 1.352 . . . . 0.0 113.51 -168.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.88 -1.533 . . . . 0.0 109.701 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.601 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.03 46.55 2.61 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.194 1.398 . . . . 0.0 111.078 -166.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -63.45 -76.54 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 167.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' HG3' ' H ' ' A' ' 5' ' ' MET . 0.3 OUTLIER -146.47 -70.2 0.25 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.106 -0.996 . . . . 0.0 110.409 169.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.519 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 2.7 ttp -63.38 -22.6 66.98 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.329 -164.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p 64.5 -4.54 0.42 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.775 2.83 . . . . 0.0 116.269 169.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 t0 95.71 133.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 1 C-N-CA 132.094 4.158 . . . . 0.0 108.56 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 t -145.88 24.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 128.29 2.636 . . . . 0.0 107.707 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt 65.97 166.29 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.921 2.489 . . . . 0.0 108.626 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.2 m 56.68 6.23 0.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -60.58 -33.42 72.68 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.481 1.491 . . . . 0.0 111.002 -163.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -128.04 39.6 3.82 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.757 1.623 . . . . 0.0 109.453 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.19 -51.25 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 153.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.283 1.4 m -57.23 -54.3 32.28 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 CA-C-N 118.162 0.437 . . . . 0.0 110.847 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.18 -22.05 62.08 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.7 -1.25 . . . . 0.0 111.793 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.41 -11.81 60.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.24 1.416 . . . . 0.0 113.559 171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -110.55 -29.94 7.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.869 1.668 . . . . 0.0 110.173 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.96 -27.79 2.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.342 -0.848 . . . . 0.0 113.185 -161.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.39 -63.28 1.48 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -27.81 34.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.535 -1.222 . . . . 0.0 111.736 -174.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -23.38 -54.77 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 130.319 3.448 . . . . 0.0 114.44 -162.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.291 0.0 OUTLIER -132.03 -23.37 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.589 1.555 . . . . 0.0 112.042 176.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -61.08 -46.65 89.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 118.477 0.58 . . . . 0.0 111.129 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' CG ' ' A' ' 31' ' ' TRP . 46.0 t -102.43 122.89 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.07 138.83 52.38 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.848 -0.533 . . . . 0.0 109.765 165.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.01 167.88 14.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.938 1.295 . . . . 0.0 110.515 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m 56.88 63.68 1.86 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 109.659 -160.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 p -141.61 153.09 44.56 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -120.22 -24.91 5.82 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.661 1.184 . . . . 0.0 111.69 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.44 -48.77 80.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.657 1.117 . . . . 0.0 109.23 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.416 ' CG ' HG11 ' A' ' 24' ' ' VAL . 1.8 t90 -57.15 -50.38 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.745 0.818 . . . . 0.0 111.567 171.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.3 78.53 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.317 1.447 . . . . 0.0 111.353 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -59.65 -6.89 1.29 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.669 1.587 . . . . 0.0 113.511 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.03 -18.98 9.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.086 1.354 . . . . 0.0 112.607 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -34.81 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.498 167.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -53.07 -49.19 66.87 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.612 1.096 . . . . 0.0 110.56 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -40.07 92.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.139 0.976 . . . . 0.0 110.82 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -34.49 62.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.462 1.028 . . . . 0.0 111.787 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -23.27 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.2 1.0 . . . . 0.0 111.973 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -54.89 7.29 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 118.813 0.733 . . . . 0.0 110.418 165.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.86 -17.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 116.638 -1.649 . . . . 0.0 112.251 -168.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -37.14 32.76 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 121.39 1.905 . . . . 0.0 112.773 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.34 64.47 0.63 Allowed 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 171.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.15 -59.62 2.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -132.94 -71.08 0.53 Allowed 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.611 0.764 . . . . 0.0 110.092 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -136.43 157.08 47.65 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.124 2.57 . . . . 0.0 104.732 172.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 m -51.43 -26.99 9.01 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 117.319 -1.324 . . . . 0.0 113.454 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.0 m -72.28 -72.75 0.22 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.536 1.516 . . . . 0.0 109.403 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.21 -32.94 25.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.914 1.686 . . . . 0.0 113.03 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.17 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 128.673 2.789 . . . . 0.0 111.246 171.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -33.83 31.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.237 0.615 . . . . 0.0 111.199 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.12 -60.84 2.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.025 0.93 . . . . 0.0 109.965 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -59.66 -30.94 69.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 110.863 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -24.77 67.57 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.814 1.246 . . . . 0.0 110.909 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.26 -37.05 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.978 1.311 . . . . 0.0 108.275 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -48.63 80.9 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.492 1.117 . . . . 0.0 111.787 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -54.65 6.97 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.448 1.099 . . . . 0.0 111.115 173.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.12 -32.36 73.73 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.475 -1.726 . . . . 0.0 111.822 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -34.22 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 121.129 1.786 . . . . 0.0 113.205 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.16 -41.04 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 109.622 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -27.49 68.9 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.031 1.333 . . . . 0.0 110.481 175.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -26.92 62.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.841 0.857 . . . . 0.0 110.005 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -62.56 -55.74 24.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 117.883 -1.056 . . . . 0.0 111.196 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptp -65.77 -28.55 69.11 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.839 0.745 . . . . 0.0 112.066 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -36.82 83.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.63 50.95 0.04 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.289 1.423 . . . . 0.0 113.931 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.17 90.01 2.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.534 1.167 . . . . 0.0 112.99 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.84 -37.25 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.554 1.142 . . . . 0.0 112.181 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.75 120.92 12.2 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.69 36.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 126.853 2.061 . . . . 0.0 106.708 160.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.72 -68.19 0.94 Allowed 'General case' 0 C--O 1.223 -0.338 0 O-C-N 120.776 -1.202 . . . . 0.0 108.772 170.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -60.55 3.62 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.146 1.339 . . . . 0.0 112.876 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -0.37 2.58 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.505 -1.372 . . . . 0.0 114.331 172.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.29 -12.03 18.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 116.148 -1.882 . . . . 0.0 111.282 173.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -25.89 6.81 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.557 1.981 . . . . 0.0 112.739 -168.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.81 -16.28 11.01 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.604 1.162 . . . . 0.0 113.973 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.75 16.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.512 1.505 . . . . 0.0 110.752 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -68.59 0.86 Allowed 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.306 1.443 . . . . 0.0 109.705 -172.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.07 -63.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -72.64 3.88 4.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.239 1.415 . . . . 0.0 112.868 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 tpt85 -62.15 -51.16 68.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.815 -1.178 . . . . 0.0 109.717 170.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.76 5.1 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.338 1.649 . . . . 0.0 112.027 -163.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.3 p 58.42 17.7 5.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.482 1.913 . . . . 0.0 113.079 -165.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.28 -24.39 0.87 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -161.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.518 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -64.26 177.18 0.88 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.192 1.397 . . . . 0.0 109.893 165.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -143.09 80.69 1.69 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.931 0.787 . . . . 0.0 110.354 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -66.81 172.37 4.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.53 0.332 . . . . 0.0 110.152 173.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 3.7 ttm 65.81 -47.27 0.4 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.883 2.073 . . . . 0.0 111.928 -175.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.252 54.4 p 56.93 -159.32 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.584 1.954 . . . . 0.0 111.17 -171.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.08 110.61 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 126.494 1.918 . . . . 0.0 110.435 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.2 17.41 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 127.451 2.3 . . . . 0.0 109.684 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 74.95 -71.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.613 2.365 . . . . 0.0 110.437 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.91 1.15 18.43 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -30.49 -78.26 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.97 2.908 . . . . 0.0 113.446 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.19 38.72 1.44 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.894 -1.128 . . . . 0.0 110.295 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -33.13 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.18 0.992 . . . . 0.0 110.166 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.13 -50.51 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 119.108 0.867 . . . . 0.0 111.426 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 6.2 tt -60.42 -41.55 94.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 109.814 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -64.21 -14.97 58.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -104.82 1.1 28.76 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.511 1.524 . . . . 0.0 112.908 172.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -109.44 -68.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 126.626 1.97 . . . . 0.0 110.113 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.83 -66.56 0.91 Allowed 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -157.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -27.41 6.71 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.58 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -37.77 -47.52 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 126.326 1.851 . . . . 0.0 110.948 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.38 -44.49 1.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.77 0.428 . . . . 0.0 111.657 166.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 -58.01 -35.99 72.05 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -167.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -137.62 57.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 120.94 15.86 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -160.27 -174.13 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.43 1.892 . . . . 0.0 108.136 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 p -86.77 165.94 15.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.449 0.7 . . . . 0.0 109.685 154.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -76.57 90.84 3.34 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.153 -0.967 . . . . 0.0 111.668 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -120.51 -101.35 0.42 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.952 0.501 . . . . 0.0 110.8 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -46.82 56.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.577 1.551 . . . . 0.0 110.118 -174.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -30.49 70.38 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.51 -0.744 . . . . 0.0 111.29 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -29.44 65.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.76 1.224 . . . . 0.0 109.968 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -60.53 -20.85 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.464 1.484 . . . . 0.0 111.967 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -106.72 -22.79 12.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.369 -0.832 . . . . 0.0 111.315 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -43.01 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-O 117.922 -1.037 . . . . 0.0 108.59 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.14 -23.8 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.911 1.687 . . . . 0.0 114.787 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.68 -28.36 19.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.097 1.759 . . . . 0.0 110.605 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 1.7 p-80 -55.85 -40.01 72.26 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.185 1.357 . . . . 0.0 110.386 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -8.18 43.2 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -46.88 11.23 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 119.72 1.146 . . . . 0.0 110.222 161.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mm -56.69 -22.82 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.767 1.627 . . . . 0.0 111.619 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.04 -35.27 64.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.845 1.657 . . . . 0.0 111.633 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 1.1 mm? -107.65 50.24 0.78 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 120.3 1.409 . . . . 0.0 109.438 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.3 -40.29 37.26 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.906 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -159.36 -65.73 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.908 0.776 . . . . 0.0 110.78 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.6 163.13 32.85 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 129.689 3.196 . . . . 0.0 104.603 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -59.22 -33.66 71.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.436 1.471 . . . . 0.0 111.051 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -65.93 -76.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.831 2.452 . . . . 0.0 111.142 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.07 -23.13 44.53 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.381 1.072 . . . . 0.0 112.937 -171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -85.0 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.647 1.979 . . . . 0.0 110.787 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.1 19.4 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.528 0.731 . . . . 0.0 111.971 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -54.78 -49.73 70.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.123 0.969 . . . . 0.0 111.152 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -67.9 -26.61 66.08 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 117.458 -1.258 . . . . 0.0 111.002 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.74 83.49 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.859 1.663 . . . . 0.0 111.201 173.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 -38.04 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 118.156 -0.926 . . . . 0.0 108.554 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -81.34 -21.27 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -168.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.077 -1.639 . . . . 0.0 109.672 158.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.42 -25.6 61.54 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.995 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 p -60.43 -52.52 64.89 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.55 1.068 . . . . 0.0 111.752 169.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.76 -29.8 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -27.49 66.44 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -21.38 60.1 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.228 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 p -57.42 -65.74 0.58 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.83 1.195 . . . . 0.0 110.218 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -65.44 -23.93 67.05 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.676 1.59 . . . . 0.0 111.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.22 75.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.347 1.927 . . . . 0.0 113.474 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.97 80.73 1.99 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.324 1.562 . . . . 0.0 110.224 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.45 -24.19 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 130.394 3.478 . . . . 0.0 116.617 -165.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.74 3.24 2.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.315 1.046 . . . . 0.0 111.432 -170.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.48 -21.66 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 O-C-N 120.229 -1.544 . . . . 0.0 111.459 -162.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -45.3 -54.7 6.78 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 118.256 0.48 . . . . 0.0 111.451 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -47.88 37.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.355 0.662 . . . . 0.0 111.276 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.37 -8.39 25.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.606 1.162 . . . . 0.0 112.913 -173.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.97 -32.43 8.75 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-O 115.423 -2.227 . . . . 0.0 108.005 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -32.85 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 122.877 2.581 . . . . 0.0 109.982 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.31 1.01 38.98 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.665 -1.272 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.25 -0.1 10.52 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 129.811 3.245 . . . . 0.0 109.859 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mt -128.68 -77.66 0.56 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.18 -40.16 95.1 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.209 -0.932 . . . . 0.0 108.868 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.27 -9.35 59.16 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -57.69 -52.53 65.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.822 1.249 . . . . 0.0 108.523 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.65 15.29 0.37 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 118.27 -0.872 . . . . 0.0 112.458 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.255 8.3 p 51.23 53.71 12.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.143 0.883 . . . . 0.0 110.762 -172.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 tp -162.39 -36.61 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.032 1.733 . . . . 0.0 112.945 165.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.564 0.746 . . . . 0.0 111.267 -177.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.303 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -135.82 126.1 26.49 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 167.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m 36.67 23.65 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 129.214 3.006 . . . . 0.0 118.932 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HZ2' ' HB2' ' A' ' 5' ' ' MET . 3.3 ptmm? -56.91 -27.71 61.11 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.337 1.881 . . . . 0.0 113.141 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.482 ' HB2' ' HZ2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -130.8 79.04 1.88 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 100.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.202 1.801 . . . . 0.0 108.798 162.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.41 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 128.002 2.521 . . . . 0.0 112.716 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.87 22.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 126.16 1.784 . . . . 0.0 108.483 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt 71.82 -74.52 0.09 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.426 2.69 . . . . 0.0 108.865 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -74.55 70.23 1.77 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.639 -0.663 . . . . 0.0 109.949 161.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 p -69.33 -79.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.448 1.099 . . . . 0.0 109.284 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.61 39.18 4.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.246 1.418 . . . . 0.0 109.837 -167.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 m -119.31 -48.85 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 110.178 -166.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 t -54.74 -62.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.092 0 C-N-CA 125.876 1.67 . . . . 0.0 110.012 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.16 -23.96 67.26 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.427 -0.796 . . . . 0.0 111.093 -174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.64 -11.33 60.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.623 1.969 . . . . 0.0 113.104 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -120.6 0.87 10.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.4 1.48 . . . . 0.0 112.861 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.68 -61.65 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 119.888 1.222 . . . . 0.0 111.407 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.61 -72.25 0.45 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.553 -1.276 . . . . 0.0 107.553 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.5 18.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -44.49 -41.19 6.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 127.714 2.405 . . . . 0.0 112.325 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.68 -10.24 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.654 1.182 . . . . 0.0 113.141 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.54 -46.99 7.04 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.0 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.267 79.6 t -98.77 -103.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 106.546 -1.649 . . . . 0.0 106.546 -173.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.283 2.2 pt-20 70.33 152.22 0.1 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 130.018 3.327 . . . . 0.0 112.153 -164.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 t 143.06 -115.75 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 131.25 3.82 . . . . 0.0 105.755 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -149.39 45.27 0.96 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.956 0.902 . . . . 0.0 110.461 -158.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m 42.85 64.62 1.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.347 1.459 . . . . 0.0 111.701 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -80.37 -100.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.966 0.906 . . . . 0.0 108.829 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -27.84 9.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 123.424 0.69 . . . . 0.0 109.767 -173.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -36.28 9.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.172 0.989 . . . . 0.0 111.485 175.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.56 65.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.295 1.838 . . . . 0.0 112.227 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.11 -34.63 72.24 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.871 1.268 . . . . 0.0 111.14 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.1 -24.09 21.21 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.917 -0.489 . . . . 0.0 111.844 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -39.21 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 119.338 0.972 . . . . 0.0 110.249 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -68.13 -14.55 63.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.2 1.0 . . . . 0.0 112.666 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -35.6 20.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 121.461 -0.775 . . . . 0.0 110.969 168.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -40.26 74.53 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.166 1.348 . . . . 0.0 111.483 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -10.48 59.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.183 0.993 . . . . 0.0 113.09 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.3 -54.89 3.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -48.37 -12.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 128.695 2.798 . . . . 0.0 115.686 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.47 -27.79 11.42 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 121.857 2.117 . . . . 0.0 115.331 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.2 mt -115.7 33.42 5.49 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.181 1.355 . . . . 0.0 111.422 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 50' ' ' ALA . . . -84.35 128.18 34.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? 63.7 -81.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.44 1.096 . . . . 0.0 111.869 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -156.85 157.49 35.02 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 128.569 2.748 . . . . 0.0 106.581 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 m -53.4 -29.5 35.25 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.12 0.873 . . . . 0.0 113.138 -171.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -69.4 -75.06 0.12 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -19.36 63.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . . . -50.52 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.21 2.604 . . . . 0.0 112.525 163.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -38.11 72.67 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -174.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 96.4 mt-10 -58.55 -42.18 87.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.535 1.934 . . . . 0.0 110.537 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HZ2' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -57.71 -38.49 75.34 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 119.89 -1.756 . . . . 0.0 109.555 169.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -24.21 59.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.709 1.203 . . . . 0.0 109.588 -169.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -89.76 -20.72 6.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 125.357 1.463 . . . . 0.0 110.967 171.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -77.76 -47.2 19.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.852 1.261 . . . . 0.0 111.907 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -54.78 9.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.868 1.213 . . . . 0.0 111.239 169.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.55 0.48 12.45 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -56.17 5.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.228 0.922 . . . . 0.0 111.332 157.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -48.29 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.71 1.204 . . . . 0.0 109.877 -166.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -23.43 63.07 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.903 2.081 . . . . 0.0 112.418 -175.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.85 -22.16 63.96 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.051 -1.03 . . . . 0.0 112.047 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 p -41.7 -67.11 0.28 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.695 1.998 . . . . 0.0 111.462 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.0 ptm -75.28 -25.36 57.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 127.152 2.181 . . . . 0.0 112.352 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -25.76 68.34 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.018 0.527 . . . . 0.0 110.286 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.62 22.02 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 CA-C-O 117.504 -1.72 . . . . 0.0 113.322 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.41 95.77 4.58 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 120.798 2.299 . . . . 0.0 110.969 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.54 -30.4 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 118.335 0.516 . . . . 0.0 111.56 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.53 79.18 1.84 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -168.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -141.37 -28.89 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 118.129 -0.939 . . . . 0.0 111.273 152.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -63.32 1.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 120.062 1.301 . . . . 0.0 110.385 -168.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.57 77.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.697 0.76 . . . . 0.0 111.126 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.34 -30.48 64.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.124 1.369 . . . . 0.0 109.642 -173.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.96 -28.73 15.62 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.481 -1.247 . . . . 0.0 108.888 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -49.3 -39.8 32.41 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.563 1.074 . . . . 0.0 109.664 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.33 -23.6 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -46.02 12.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 116.886 -1.53 . . . . 0.0 110.076 169.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 2.2 pp -84.9 -40.25 17.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 120.018 1.281 . . . . 0.0 113.718 -162.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -53.14 61.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.4 -3.54 31.08 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.484 -1.385 . . . . 0.0 113.598 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.1 -54.29 22.77 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.9 18.67 0.59 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.889 1.276 . . . . 0.0 111.514 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.295 76.7 p 56.85 16.44 2.74 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.474 1.91 . . . . 0.0 114.305 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.73 -28.85 0.09 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.308 1.043 . . . . 0.0 111.775 -167.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.381 1.872 . . . . 0.0 112.38 175.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.818 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -68.49 99.57 0.98 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.417 -1.049 . . . . 0.0 112.273 -167.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m 60.6 166.82 0.08 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.353 2.261 . . . . 0.0 111.864 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -175.43 -171.99 0.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.538 3.135 . . . . 0.0 105.745 179.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.318 0.0 OUTLIER 72.29 104.05 0.07 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.133 0.968 . . . . 0.0 109.113 -169.153 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -72.41 -59.57 2.66 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.552 1.541 . . . . 0.0 109.06 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -148.7 104.87 3.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.374 1.47 . . . . 0.0 108.878 -157.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -144.06 101.25 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.946 1.698 . . . . 0.0 107.22 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -78.59 -11.01 59.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.704 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -138.3 95.34 2.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.013 2.125 . . . . 0.0 106.482 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -93.24 -91.6 0.18 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -87.52 38.96 0.85 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 120.46 -1.4 . . . . 0.0 111.205 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG21 ' H ' ' A' ' 14' ' ' VAL 0.252 35.9 m -120.66 -72.8 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -23.78 -63.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 129.82 3.248 . . . . 0.0 114.221 171.148 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.41 -26.61 55.71 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.33 -0.856 . . . . 0.0 112.958 -171.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.14 -48.07 83.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 166.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 m -66.96 -6.11 15.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.9 -29.01 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 119.906 1.23 . . . . 0.0 113.108 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.21 -77.53 0.6 Allowed 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 121.006 -1.059 . . . . 0.0 109.316 -173.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.26 -25.05 1.37 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.739 174.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -28.92 -47.34 0.05 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 128.544 2.738 . . . . 0.0 110.503 170.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.455 0.0 OUTLIER -142.66 -10.86 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 117.195 2.295 . . . . 0.0 117.195 160.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.03 -34.68 20.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.37 1.441 . . . . 0.0 112.897 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.76 52.27 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 124.404 1.065 . . . . 0.0 112.195 -167.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -82.91 177.55 8.58 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.265 -1.522 . . . . 0.0 114.78 -172.12 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.437 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 1.8 t 51.37 73.31 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 129.1 2.96 . . . . 0.0 110.951 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -159.53 155.87 27.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -159.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -168.49 17.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.326 1.451 . . . . 0.0 113.365 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 -100.74 0.43 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.516 1.507 . . . . 0.0 112.448 -165.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 -46.38 77.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.44 1.473 . . . . 0.0 110.976 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -40.49 90.73 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.86 81.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.648 1.579 . . . . 0.0 111.323 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -12.42 4.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.923 1.689 . . . . 0.0 112.516 172.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 t -110.68 -23.44 11.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.943 1.297 . . . . 0.0 112.858 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -39.91 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 170.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -51.79 -46.16 64.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.603 1.092 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -29.21 64.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.608 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -31.73 56.82 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.799 1.181 . . . . 0.0 111.463 176.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 122.288 1.042 . . . . 0.0 110.395 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -64.74 -43.51 93.13 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.333 1.053 . . . . 0.0 110.363 174.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.8 mm -60.7 -20.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-O 116.176 -1.869 . . . . 0.0 111.564 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -32.86 59.88 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 122.189 2.268 . . . . 0.0 112.573 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.278 2.3 mp -105.03 42.02 1.27 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.912 1.233 . . . . 0.0 110.265 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.46 93.7 8.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.253 11.6 tmtt? 71.15 -70.6 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.061 1.745 . . . . 0.0 110.67 -174.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.78 163.18 38.67 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.125 1.37 . . . . 0.0 108.646 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -49.15 -36.43 19.26 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.376 1.87 . . . . 0.0 113.029 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.0 m -74.18 -70.72 0.37 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.894 1.277 . . . . 0.0 110.315 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.26 -25.14 65.46 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 111.494 -171.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 127.305 2.242 . . . . 0.0 111.714 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -34.45 55.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.505 0.322 . . . . 0.0 111.412 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.36 -61.65 2.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.473 1.509 . . . . 0.0 109.488 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.51 -28.2 69.14 Favored 'General case' 0 C--N 1.333 -0.133 0 O-C-N 120.869 -1.145 . . . . 0.0 111.844 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -22.85 64.06 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.629 1.104 . . . . 0.0 110.471 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -82.0 -37.48 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.717 1.607 . . . . 0.0 107.717 170.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -60.21 -45.35 93.48 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -50.43 47.37 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.447 172.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.16 -18.2 63.2 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.344 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -56.15 19.23 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.856 1.207 . . . . 0.0 110.28 167.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.26 -29.0 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-O 122.24 1.019 . . . . 0.0 110.962 -170.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -31.28 70.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.213 -1.554 . . . . 0.0 110.643 173.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -28.98 70.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 120.45 1.477 . . . . 0.0 108.478 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -58.96 -55.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 ptp -68.32 -28.73 67.41 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 123.138 0.575 . . . . 0.0 112.212 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -34.85 78.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.09 49.45 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-O 118.533 -1.148 . . . . 0.0 112.358 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.33 90.84 2.34 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.649 1.725 . . . . 0.0 112.039 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.2 -32.23 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.331 -0.856 . . . . 0.0 112.848 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -134.63 90.66 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 127.777 2.431 . . . . 0.0 105.701 -171.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 tp -155.67 17.36 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 121.625 -0.672 . . . . 0.0 112.065 167.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -92.59 -72.77 0.58 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -72.97 -33.5 65.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -163.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD22 ' H ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.07 -1.69 49.38 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.507 1.123 . . . . 0.0 110.248 172.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 t -97.85 -41.43 8.04 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 116.37 -1.776 . . . . 0.0 106.413 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -26.54 -40.93 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 130.775 3.63 . . . . 0.0 115.903 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.36 -16.39 2.2 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.137 -1.602 . . . . 0.0 115.2 170.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -6.62 22.33 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.087 1.755 . . . . 0.0 111.365 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -69.62 0.8 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 107.915 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.09 -48.68 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.946 1.298 . . . . 0.0 108.559 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -5.32 44.1 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.983 -1.073 . . . . 0.0 112.437 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -60.91 -50.55 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 119.893 -1.754 . . . . 0.0 108.574 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.04 5.1 0.28 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 124.286 0.991 . . . . 0.0 112.848 -175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.2 p 44.56 43.58 6.56 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.602 1.092 . . . . 0.0 111.501 -155.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -50.92 0.53 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 116.844 -1.551 . . . . 0.0 111.674 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.87 0 C-N-CA 125.748 1.619 . . . . 0.0 110.064 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.16 166.89 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 127.728 2.411 . . . . 0.0 113.896 -168.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 44.12 100.65 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 C-N-CA 127.996 2.519 . . . . 0.0 113.473 -171.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE2' ' CB ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -149.6 -156.42 0.72 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 172.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 tpt -22.86 83.79 0.0 OUTLIER 'General case' 0 C--O 1.235 0.341 1 C-N-CA 131.806 4.043 . . . . 0.0 111.615 -169.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -90.1 -83.55 0.25 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -122.95 104.27 9.14 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.556 1.942 . . . . 0.0 106.834 -166.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 5.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 112.161 -2.29 . . . . 0.0 108.382 -165.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 71.62 -36.07 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 129.717 3.207 . . . . 0.0 111.356 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.0 p -81.14 -96.68 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 123.828 0.851 . . . . 0.0 110.989 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.424 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.371 0.5 OUTLIER 45.13 -91.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.564 2.346 . . . . 0.0 111.115 -170.129 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.424 ' H ' ' CG2' ' A' ' 11' ' ' THR . 3.1 p -82.35 49.85 1.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.924 1.689 . . . . 0.0 112.098 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -120.18 -52.59 3.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 161.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 m -48.5 -62.29 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 124.265 1.026 . . . . 0.0 111.911 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.31 -25.83 64.43 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.448 -1.408 . . . . 0.0 111.877 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.48 -2.91 34.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.81 2.044 . . . . 0.0 112.946 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -120.63 -5.59 9.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.554 1.942 . . . . 0.0 110.523 174.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -120.98 -35.44 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.38 -67.84 0.84 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -34.05 39.16 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -34.54 -48.1 0.35 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.31 2.244 . . . . 0.0 111.818 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.13 -32.18 0.96 Allowed 'General case' 0 C--N 1.34 0.193 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -81.99 -55.11 4.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.839 1.2 . . . . 0.0 110.176 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -107.29 55.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 125.496 1.519 . . . . 0.0 107.275 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.2 67.22 3.97 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.256 -174.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.6 157.09 44.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.874 1.67 . . . . 0.0 109.757 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 p -86.1 8.72 19.69 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.94 2.896 . . . . 0.0 113.649 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -71.79 178.15 3.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.376 1.071 . . . . 0.0 112.775 -160.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.16 -26.86 13.2 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.824 -1.173 . . . . 0.0 111.51 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.8 -49.26 77.21 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.593 1.088 . . . . 0.0 110.187 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -38.74 82.97 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.543 -0.723 . . . . 0.0 111.134 177.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.29 75.71 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.728 1.211 . . . . 0.0 110.602 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -13.79 5.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.585 1.954 . . . . 0.0 113.3 173.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.93 -27.47 11.68 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 120.207 1.367 . . . . 0.0 111.768 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.95 -34.47 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.082 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.87 -42.42 65.24 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.052 0.842 . . . . 0.0 111.916 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -41.19 79.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.87 -1.144 . . . . 0.0 110.42 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -34.48 57.78 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.82 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.87 -44.59 91.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.861 0.755 . . . . 0.0 109.681 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.51 74.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.917 1.287 . . . . 0.0 109.626 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.9 -16.42 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 O-C-N 119.608 -1.932 . . . . 0.0 111.986 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -26.14 60.47 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.988 2.177 . . . . 0.0 113.633 174.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -116.99 46.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.576 0.703 . . . . 0.0 110.117 174.185 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.44 24.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.338 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -141.91 -71.56 0.34 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.41 156.05 49.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.148 2.179 . . . . 0.0 106.121 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -51.55 -31.41 24.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.678 2.391 . . . . 0.0 112.998 -173.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m -68.45 -80.29 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.696 1.998 . . . . 0.0 109.314 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -28.33 37.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.437 1.495 . . . . 0.0 112.699 -171.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.64 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.878 2.071 . . . . 0.0 110.668 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -36.64 55.43 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.353 0.661 . . . . 0.0 111.204 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -52.92 -61.43 2.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.891 0.876 . . . . 0.0 109.769 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -62.23 -29.14 70.18 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 120.697 -1.252 . . . . 0.0 110.724 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.81 70.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.236 1.414 . . . . 0.0 109.015 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.509 ' HB ' HE22 ' A' ' 85' ' ' GLN . 4.4 t -76.69 -44.74 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.622 1.569 . . . . 0.0 109.055 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.9 p -53.66 -50.69 65.23 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.742 0.701 . . . . 0.0 112.493 -168.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -51.33 8.82 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.901 1.281 . . . . 0.0 111.577 173.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.48 -21.94 61.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.546 -170.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 81.5 p -64.2 -52.11 60.48 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 119.145 0.884 . . . . 0.0 110.745 173.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.75 -40.54 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -29.8 69.37 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.094 1.358 . . . . 0.0 111.617 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 120.476 1.489 . . . . 0.0 109.879 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 m -55.82 -65.82 0.53 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.418 1.008 . . . . 0.0 110.469 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.5 ptp -63.35 -26.15 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.678 0.791 . . . . 0.0 112.798 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -26.31 64.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.604 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.23 26.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.763 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.847 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.96 112.7 19.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 120.976 2.388 . . . . 0.0 111.468 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.71 -35.0 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.52 170.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -152.62 86.55 1.27 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.8 tp -129.21 -36.23 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 117.123 -1.417 . . . . 0.0 110.392 157.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -42.54 -68.16 0.21 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.334 1.454 . . . . 0.0 110.963 -169.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.28 -38.05 86.88 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.672 -0.642 . . . . 0.0 112.645 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.01 -7.56 30.08 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.331 1.852 . . . . 0.0 111.334 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.97 -38.68 5.27 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.44 -30.11 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 121.437 1.926 . . . . 0.0 112.75 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.86 -30.62 65.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.233 -1.542 . . . . 0.0 111.083 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 ttt -83.35 1.38 41.56 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 127.241 2.216 . . . . 0.0 112.049 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -125.21 -52.81 1.63 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.788 1.235 . . . . 0.0 111.032 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -71.91 -74.24 0.16 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -69.2 8.47 0.57 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.091 -1.631 . . . . 0.0 114.18 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 tpt85 -56.41 -57.89 10.37 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.691 1.596 . . . . 0.0 111.143 158.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.49 17.43 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.966 2.107 . . . . 0.0 111.608 -161.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.28 2.2 p 54.69 45.98 25.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.706 2.802 . . . . 0.0 113.219 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.39 -36.77 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.509 HE22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.977 0.911 . . . . 0.0 110.487 -163.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 179.72 8.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.847 1.259 . . . . 0.0 107.877 167.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 42.07 80.85 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.179 1.792 . . . . 0.0 113.914 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -139.85 -23.78 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.1 tpt -141.81 80.61 1.73 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 103.667 -2.716 . . . . 0.0 103.667 -176.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -68.05 -80.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.107 1.363 . . . . 0.0 110.532 -174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -147.93 145.72 28.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -145.85 11.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 C-N-CA 129.234 3.014 . . . . 0.0 106.177 -158.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 73.32 -26.35 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 130.614 3.566 . . . . 0.0 112.294 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.6 m -135.65 52.3 2.01 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.683 1.593 . . . . 0.0 109.963 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.1 p -77.94 -86.16 0.06 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.067 -1.021 . . . . 0.0 109.417 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 38.08 0.68 Allowed 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.861 -1.149 . . . . 0.0 110.377 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 m -106.57 -23.79 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.922 1.289 . . . . 0.0 108.07 169.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -69.18 -75.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.075 2.15 . . . . 0.0 108.345 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.66 -29.17 70.44 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.253 -0.904 . . . . 0.0 112.599 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 mt -69.9 -17.52 63.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.329 0.651 . . . . 0.0 112.746 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -93.98 -4.7 49.18 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.966 0.907 . . . . 0.0 112.049 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.99 -67.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 119.874 1.215 . . . . 0.0 110.549 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -70.5 0.29 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -171.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.69 -22.9 48.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 125.045 1.338 . . . . 0.0 113.556 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -44.59 -33.27 1.72 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.816 2.046 . . . . 0.0 111.807 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.3 -28.04 0.32 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 162.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -74.29 -37.89 63.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.85 0.75 . . . . 0.0 112.129 -164.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.6 60.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.382 1.473 . . . . 0.0 108.03 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.47 158.44 4.37 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 112.253 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' HA ' ' CH2' ' A' ' 31' ' ' TRP . 79.1 p -58.9 4.28 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.502 3.121 . . . . 0.0 118.489 -151.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 t -85.1 -2.0 57.5 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -150.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -156.13 133.6 10.88 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 122.729 2.513 . . . . 0.0 113.261 -169.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.57 -36.66 81.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.865 2.066 . . . . 0.0 114.827 -167.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.21 73.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.564 1.075 . . . . 0.0 110.773 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -58.73 -44.08 90.37 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.494 -0.754 . . . . 0.0 109.597 177.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -29.65 70.66 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.686 1.594 . . . . 0.0 112.571 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.38 -13.89 59.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.003 0.921 . . . . 0.0 111.349 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -27.96 12.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 125.419 1.488 . . . . 0.0 112.323 167.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.17 -39.85 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.05 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.81 -43.92 66.27 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 120.288 1.404 . . . . 0.0 111.805 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.68 91.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.755 1.222 . . . . 0.0 110.745 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -34.0 37.61 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.849 1.204 . . . . 0.0 112.864 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.86 -28.42 69.54 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.539 1.638 . . . . 0.0 110.978 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -88.58 -34.97 17.14 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.855 -1.153 . . . . 0.0 110.687 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.03 -17.91 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 125.438 1.495 . . . . 0.0 112.453 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -19.71 9.04 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 122.091 2.223 . . . . 0.0 113.171 170.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -118.77 43.44 2.54 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.747 2.419 . . . . 0.0 111.279 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.12 -15.69 56.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.53 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -167.73 -65.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 171.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -156.16 168.94 25.7 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 128.722 2.809 . . . . 0.0 107.11 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -48.75 -47.5 41.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.147 1.779 . . . . 0.0 113.787 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 m -64.59 -68.04 0.39 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.097 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.6 -40.73 13.4 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.834 1.654 . . . . 0.0 112.112 -174.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 128.391 2.676 . . . . 0.0 110.67 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -27.41 64.49 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.404 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -57.52 -51.79 68.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 119.96 -1.712 . . . . 0.0 110.248 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -77.01 -22.39 53.17 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.808 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 ttm -51.98 -45.94 64.67 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.141 1.776 . . . . 0.0 111.356 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.42 -36.33 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.0 m -63.17 -54.79 32.2 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 117.223 -1.37 . . . . 0.0 112.095 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -61.12 1.06 Allowed 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 124.598 1.159 . . . . 0.0 110.286 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.36 -21.99 66.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.777 -1.106 . . . . 0.0 113.285 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.8 m -70.57 -48.31 55.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.216 0.917 . . . . 0.0 111.299 170.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -44.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 121.276 -0.89 . . . . 0.0 108.995 -177.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -27.19 63.22 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.435 2.294 . . . . 0.0 110.934 176.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.06 -22.69 64.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.526 1.057 . . . . 0.0 109.662 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -56.36 -56.59 19.2 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.661 1.184 . . . . 0.0 110.503 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.4 ptm -73.3 -25.4 60.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.919 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -24.57 64.77 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.659 0.6 . . . . 0.0 109.602 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 31.11 0.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.806 1.193 . . . . 0.0 114.399 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.28 54.7 1.44 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 119.117 1.458 . . . . 0.0 109.372 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -56.11 -18.85 6.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.176 -0.953 . . . . 0.0 113.1 -167.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.95 86.94 2.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.53 1.532 . . . . 0.0 108.037 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.1 tp -145.02 19.83 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.303 1.441 . . . . 0.0 111.673 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -120.06 -47.31 2.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 O-C-N 121.131 -0.981 . . . . 0.0 109.876 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -72.53 -64.8 0.88 Allowed 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.725 0.81 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.519 ' CD1' ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -68.1 0.49 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 173.222 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.49 -6.75 20.34 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 116.006 -1.949 . . . . 0.0 109.629 171.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -26.69 34.89 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 122.252 2.296 . . . . 0.0 111.503 -171.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.96 -12.12 3.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.982 1.713 . . . . 0.0 112.986 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.3 mtp -121.5 -4.46 9.32 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 111.023 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -67.28 0.94 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.828 2.051 . . . . 0.0 108.815 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -57.72 11.67 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 108.218 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -65.72 -5.89 9.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.969 1.308 . . . . 0.0 113.389 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -68.82 -41.69 78.24 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.529 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.21 13.95 0.15 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p 54.29 46.31 25.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.192 1.797 . . . . 0.0 112.997 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.68 -36.07 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.6 2.36 . . . . 0.0 112.642 -167.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.917 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 178.92 -63.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.035 2.134 . . . . 0.0 108.033 163.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 59.1 115.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.612 1.965 . . . . 0.0 111.506 -168.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -28.49 17.88 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.488 -0.758 . . . . 0.0 112.306 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.59 87.23 1.92 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -66.04 -62.25 1.59 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -167.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -143.04 109.49 5.37 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 103.282 -2.859 . . . . 0.0 103.282 -166.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 10' ' ' CYS . 1.6 t -138.01 5.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 124.096 0.959 . . . . 0.0 108.585 -155.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp 78.18 -31.7 0.16 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.306 2.642 . . . . 0.0 109.808 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' VAL . 81.1 m -69.39 -107.05 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.323 -1.322 . . . . 0.0 109.884 144.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.276 98.7 m 56.47 -105.24 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.011 -164.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.36 60.94 5.94 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.887 2.13 . . . . 0.0 110.347 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' CG2' ' H ' ' A' ' 14' ' ' VAL 0.29 3.6 m -120.6 -75.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 118.386 -0.816 . . . . 0.0 108.954 160.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' H ' ' CG2' ' A' ' 13' ' ' VAL 0.274 1.0 OUTLIER -53.59 -53.15 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 119.473 1.033 . . . . 0.0 111.863 -163.501 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.85 -41.66 96.28 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.97 -13.62 57.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.78 0.832 . . . . 0.0 113.092 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -105.82 0.7 26.26 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.964 1.706 . . . . 0.0 111.715 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -115.41 -65.51 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 110.093 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -65.31 1.03 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -165.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -25.02 5.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.741 172.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -32.42 -56.41 0.34 Allowed 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 128.986 2.914 . . . . 0.0 108.749 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.02 -5.85 1.66 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 125.318 1.636 . . . . 0.0 114.307 171.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -45.62 13.53 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 120.594 1.543 . . . . 0.0 110.257 -172.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -139.86 63.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 126.948 2.099 . . . . 0.0 106.233 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -31.54 45.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.53 1.132 . . . . 0.0 111.089 -177.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 p 153.8 163.47 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 130.142 3.377 . . . . 0.0 110.033 144.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m -125.9 -59.56 1.34 Allowed 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 164.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -147.47 -177.42 5.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.305 1.05 . . . . 0.0 112.846 -169.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.32 -10.81 0.98 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.126 164.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.09 -63.78 1.1 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.672 1.578 . . . . 0.0 109.896 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -42.01 63.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.769 0.795 . . . . 0.0 110.193 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.23 70.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.939 0.896 . . . . 0.0 111.914 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.73 -12.2 15.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.68 0.792 . . . . 0.0 112.217 172.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -26.83 8.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.17 1.388 . . . . 0.0 110.942 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.56 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.646 169.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 2.2 pt20 -63.7 -72.91 0.13 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 121.258 1.844 . . . . 0.0 110.666 167.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -53.7 -26.87 24.88 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 127.866 2.466 . . . . 0.0 113.236 -167.06 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.57 -33.98 16.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.943 0.792 . . . . 0.0 112.806 173.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -68.84 -31.67 70.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.069 1.347 . . . . 0.0 111.482 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.43 -52.77 23.69 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mm -49.54 -24.24 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 127.832 2.453 . . . . 0.0 114.887 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' H ' HD23 ' A' ' 42' ' ' LEU . 1.4 mm? -60.89 -19.15 59.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 123.371 2.805 . . . . 0.0 113.01 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -118.13 42.93 2.57 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 119.488 1.04 . . . . 0.0 109.775 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.13 -62.54 1.36 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.802 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -128.93 -61.03 1.07 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.132 0.573 . . . . 0.0 110.906 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -153.08 166.88 31.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.3 m -50.5 -38.34 43.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.117 1.367 . . . . 0.0 112.291 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -73.44 -69.72 0.41 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.609 0.641 . . . . 0.0 109.802 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -61.73 -24.7 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.757 0.789 . . . . 0.0 112.259 -163.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.5 -75.34 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.092 2.557 . . . . 0.0 111.741 166.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -40.39 54.35 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.158 0.583 . . . . 0.0 109.797 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.0 -50.49 68.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.099 0.559 . . . . 0.0 109.892 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -68.1 -26.02 65.61 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.651 -0.656 . . . . 0.0 112.091 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -36.15 68.19 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.906 0.775 . . . . 0.0 111.144 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' HB ' HE22 ' A' ' 85' ' ' GLN . 3.3 t -70.2 -43.36 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.481 173.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.453 ' HG ' ' C ' ' A' ' 85' ' ' GLN . 0.8 OUTLIER -66.41 -40.92 89.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.162 1.347 . . . . 0.0 114.037 -168.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -55.52 8.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 118.166 0.439 . . . . 0.0 109.887 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.54 -31.18 69.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.754 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -54.48 -55.34 29.97 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.172 0.897 . . . . 0.0 110.183 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.42 -25.1 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 122.928 0.491 . . . . 0.0 110.513 -171.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -32.23 67.19 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.951 1.7 . . . . 0.0 111.487 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -30.38 60.34 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.522 1.51 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 t -52.42 -63.51 1.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.829 1.652 . . . . 0.0 109.754 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.4 ptm -68.82 -25.25 64.58 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.01 0.524 . . . . 0.0 111.54 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -9.38 42.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.764 0.826 . . . . 0.0 111.173 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.45 36.27 1.95 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 124.337 0.97 . . . . 0.0 111.969 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.56 157.23 17.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.374 1.087 . . . . 0.0 108.465 164.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.55 -50.79 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 159.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.23 42.21 1.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.295 1.438 . . . . 0.0 110.242 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.34 -54.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 CA-C-O 116.166 -1.873 . . . . 0.0 107.516 161.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -38.11 -68.0 0.17 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.184 1.811 . . . . 0.0 113.39 -165.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -78.22 -27.41 47.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.235 0.925 . . . . 0.0 113.294 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.9 -10.3 47.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.078 0.551 . . . . 0.0 110.154 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.9 t -111.86 -32.19 6.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.7 -35.26 30.25 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 120.554 1.525 . . . . 0.0 111.001 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.75 -54.03 32.62 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 123.321 1.534 . . . . 0.0 109.475 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.15 2.65 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 128.14 2.576 . . . . 0.0 115.508 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 pp -140.67 -53.1 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.056 1.298 . . . . 0.0 111.025 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.13 -30.72 66.85 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.265 -1.522 . . . . 0.0 111.118 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -93.38 1.34 56.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 119.477 -2.014 . . . . 0.0 111.925 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -61.92 2.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 161.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.95 15.4 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.31 -158.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.308 25.2 p 54.74 26.32 7.46 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 -27.27 0.97 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.229 1.412 . . . . 0.0 114.387 -169.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.453 ' C ' ' HG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 116.357 -1.782 . . . . 0.0 113.134 -158.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -137.87 -53.02 0.64 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.722 1.209 . . . . 0.0 108.8 164.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -165.07 17.45 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.734 0.814 . . . . 0.0 112.559 -160.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -76.51 156.63 32.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.997 -1.065 . . . . 0.0 108.819 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.19 49.29 20.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.178 1.391 . . . . 0.0 111.541 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -63.55 -65.38 0.69 Allowed 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 124.87 1.268 . . . . 0.0 111.792 -165.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -146.3 104.91 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.492 1.917 . . . . 0.0 107.681 -162.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 9.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.727 -155.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp 72.82 -27.05 0.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.176 2.591 . . . . 0.0 113.287 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -129.49 1.24 5.03 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.751 1.62 . . . . 0.0 112.218 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -48.35 -55.24 11.24 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 125.816 1.647 . . . . 0.0 109.255 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -105.52 37.68 2.16 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.531 0.732 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.66 -40.75 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 120.712 -1.243 . . . . 0.0 111.285 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.294 23.0 m -57.58 -51.39 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 119.327 0.967 . . . . 0.0 112.38 -167.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.35 -30.14 60.16 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.696 -1.252 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.4 -8.02 7.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.984 0.914 . . . . 0.0 112.613 168.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -120.75 1.03 10.49 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.985 1.314 . . . . 0.0 111.977 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.67 -24.67 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -70.72 0.78 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 118.666 0.666 . . . . 0.0 109.785 -172.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -21.43 3.84 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 172.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -44.69 -34.4 2.21 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.448 1.499 . . . . 0.0 110.906 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.72 -61.38 0.54 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.853 1.661 . . . . 0.0 111.056 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.29 66.36 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -160.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.252 7.7 p -136.81 48.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 124.019 0.928 . . . . 0.0 110.65 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -12.18 61.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.31 0.644 . . . . 0.0 110.425 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 87.26 0.3 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 166.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.3 m -60.27 153.51 22.24 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.503 -0.748 . . . . 0.0 110.162 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 t -162.03 -169.91 2.35 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.592 2.757 . . . . 0.0 104.794 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -92.47 -11.5 34.51 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.792 -1.099 . . . . 0.0 112.109 155.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.46 -67.54 0.41 Allowed 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.556 1.071 . . . . 0.0 110.695 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -37.28 63.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.397 -0.814 . . . . 0.0 110.788 175.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.77 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.636 0.774 . . . . 0.0 110.757 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.54 -21.46 65.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.5 1.52 . . . . 0.0 112.967 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.7 -45.25 14.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 119.678 1.126 . . . . 0.0 110.874 158.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -52.96 -38.56 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.925 -166.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.15 -14.7 0.46 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.38 -29.39 10.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.198 2.199 . . . . 0.0 110.388 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -53.14 -37.3 61.7 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 122.519 2.418 . . . . 0.0 113.074 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -63.15 -27.24 69.24 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.673 1.589 . . . . 0.0 110.795 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.0 t0 -79.86 -44.7 20.01 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.448 1.099 . . . . 0.0 110.488 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -57.53 -15.27 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 128.298 2.639 . . . . 0.0 112.041 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -22.55 60.01 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 122.437 2.38 . . . . 0.0 113.059 174.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.75 53.96 1.24 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.927 1.691 . . . . 0.0 107.777 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.61 67.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.33 177.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 -68.74 0.25 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.944 1.298 . . . . 0.0 107.986 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -133.15 158.29 43.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.788 2.035 . . . . 0.0 107.571 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -53.85 -34.49 59.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.715 1.143 . . . . 0.0 113.403 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.0 m -77.77 -68.51 0.62 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.616 0.766 . . . . 0.0 109.129 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.81 -14.37 21.29 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.481 1.113 . . . . 0.0 112.719 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.76 -75.8 0.08 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.245 2.618 . . . . 0.0 113.047 162.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -34.83 70.29 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.058 -0.401 . . . . 0.0 110.156 -173.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -53.01 -50.73 63.62 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.267 1.027 . . . . 0.0 109.724 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.52 -36.85 83.88 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.009 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.441 ' HA ' HD12 ' A' ' 57' ' ' LEU . 2.3 ttt -52.74 -17.6 1.42 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.468 2.707 . . . . 0.0 112.523 170.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.64 -24.77 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 O-C-N 119.874 -1.766 . . . . 0.0 108.135 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -59.97 4.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 126.13 1.772 . . . . 0.0 114.317 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -47.7 -53.59 14.61 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 126.055 1.742 . . . . 0.0 112.06 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.287 3.7 mp -58.01 -36.57 72.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 117.058 -1.857 . . . . 0.0 112.224 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -1.15 4.7 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 p -120.22 -31.01 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 122.257 2.299 . . . . 0.0 111.831 169.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -34.88 68.36 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.741 -1.225 . . . . 0.0 108.855 164.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.85 -15.72 13.9 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.213 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.5 m -55.76 -12.28 1.25 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.104 1.362 . . . . 0.0 114.347 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -120.11 -33.42 3.94 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.603 1.561 . . . . 0.0 113.368 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -56.63 -42.18 78.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.936 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.8 68.2 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -150.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 69' ' ' ASP . . . -108.76 -138.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.736 1.614 . . . . 0.0 109.866 166.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.402 0.9 OUTLIER 57.66 -30.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 1 C-N-CA 131.977 4.111 . . . . 0.0 113.046 -162.094 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 67' ' ' ALA . 8.1 m-20 -120.62 66.2 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 128.5 2.72 . . . . 0.0 106.356 167.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tp -140.82 6.6 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 165.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -81.18 -71.1 0.49 Allowed 'General case' 0 C--O 1.222 -0.354 0 O-C-N 120.46 -1.4 . . . . 0.0 108.494 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.5 -53.02 25.94 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.933 . . . . 0.0 112.768 -165.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -66.23 1.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.978 174.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.0 t -116.38 -17.33 10.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 120.39 1.45 . . . . 0.0 112.524 168.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -28.72 65.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 121.649 2.022 . . . . 0.0 110.053 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.8 -4.47 37.89 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 mtt -121.13 -0.56 9.94 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.142 3.377 . . . . 0.0 112.904 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.19 -71.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 -174.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -48.86 79.02 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.292 1.037 . . . . 0.0 108.389 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.05 -0.6 19.5 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.258 1.423 . . . . 0.0 113.848 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -71.48 -46.29 60.25 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.653 -1.279 . . . . 0.0 109.77 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.98 21.94 0.05 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.889 1.675 . . . . 0.0 111.26 171.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.6 p 49.55 53.75 12.17 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.246 1.418 . . . . 0.0 112.837 -172.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tp -154.51 -32.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 . . . . . 0 C--O 1.247 0.941 0 C-N-CA 129.547 3.139 . . . . 0.0 110.805 -173.801 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.981 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.6 m80 63.32 86.34 0.12 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.574 1.95 . . . . 0.0 110.547 -160.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -135.99 146.31 47.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 162.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.88 3.9 47.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.593 1.157 . . . . 0.0 112.211 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -138.19 95.02 2.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 107.367 -161.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.253 1.5 p -66.18 64.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.482 3.513 . . . . 0.0 113.81 -173.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 80.46 130.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 1 C-N-CA 132.183 4.193 . . . . 0.0 110.122 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.15 101.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 124.172 1.939 . . . . 0.0 106.657 -175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -76.65 15.67 0.6 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.175 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.7 m -134.73 -82.12 0.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.774 1.63 . . . . 0.0 109.97 -168.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.267 54.3 m 64.49 -103.59 0.11 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.864 -1.065 . . . . 0.0 109.53 174.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -89.32 38.2 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.506 1.957 . . . . 0.0 111.733 -173.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 m -108.89 -53.11 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.089 -1.007 . . . . 0.0 110.505 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.17 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 125.348 1.459 . . . . 0.0 110.458 -169.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 5.1 tt -63.57 -36.32 83.42 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.864 -0.523 . . . . 0.0 109.888 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.76 -17.89 64.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.241 1.016 . . . . 0.0 111.078 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -100.97 0.61 38.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.86 2.064 . . . . 0.0 112.794 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -116.66 -73.42 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 124.929 1.292 . . . . 0.0 110.242 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 -64.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -161.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -25.6 34.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.394 173.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -35.83 -41.61 0.23 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.166 2.586 . . . . 0.0 112.013 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -34.36 0.93 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.336 1.054 . . . . 0.0 112.48 173.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -77.97 0.09 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 119.427 1.012 . . . . 0.0 109.122 -171.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.84 54.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.614 1.165 . . . . 0.0 109.435 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.09 -24.31 53.11 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -173.67 162.48 4.11 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 127.688 2.395 . . . . 0.0 107.99 152.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -175.54 121.45 0.19 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 156.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 t 54.23 -163.46 0.11 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.237 1.415 . . . . 0.0 111.595 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -85.21 -2.01 57.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 117.887 -1.054 . . . . 0.0 111.297 151.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -46.01 -68.31 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.775 1.63 . . . . 0.0 110.033 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.839 0.828 . . . . 0.0 110.415 -177.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.23 -28.13 69.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.655 1.582 . . . . 0.0 111.954 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -32.42 70.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.399 1.079 . . . . 0.0 111.436 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.05 -32.06 20.18 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.503 1.047 . . . . 0.0 110.521 168.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.27 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-O 117.216 -1.373 . . . . 0.0 111.957 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 3.7 pt20 -68.97 -70.77 0.25 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.026 1.739 . . . . 0.0 109.558 165.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -51.63 -28.21 13.67 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 127.438 2.295 . . . . 0.0 113.613 -173.163 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -52.32 -25.02 8.53 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 121.338 1.881 . . . . 0.0 112.81 170.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -65.62 -43.62 88.97 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.082 1.353 . . . . 0.0 110.349 172.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.63 -11.49 60.87 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 119.95 -1.719 . . . . 0.0 111.116 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.75 -15.04 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 119.912 -1.743 . . . . 0.0 111.567 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -55.42 -33.37 63.49 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 122.446 2.384 . . . . 0.0 111.308 -178.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -113.23 56.43 0.69 Allowed 'General case' 0 C--N 1.342 0.245 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.24 -36.24 24.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.52 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.59 -69.57 0.11 Allowed 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.326 1.05 . . . . 0.0 108.576 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -146.88 166.5 26.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 125.98 1.712 . . . . 0.0 107.605 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -60.11 -29.28 68.5 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.462 -0.78 . . . . 0.0 113.017 -168.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.8 m -78.33 -67.79 0.7 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.73 -30.8 23.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.073 1.749 . . . . 0.0 115.082 -172.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.31 -86.21 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.311 1.844 . . . . 0.0 110.108 168.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -34.85 13.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.641 0.776 . . . . 0.0 111.482 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.15 -56.74 17.86 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.392 1.077 . . . . 0.0 111.155 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -61.14 -26.07 67.43 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.756 1.162 . . . . 0.0 110.644 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.425 ' CE ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -66.86 -27.41 67.51 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -174.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t -85.26 -38.8 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 125.269 1.428 . . . . 0.0 107.924 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -29.87 61.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.978 -166.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -56.95 6.26 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 164.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.44 -29.48 69.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.731 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -35.96 76.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.398 1.454 . . . . 0.0 113.012 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.9 -38.4 14.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.884 0.473 . . . . 0.0 110.136 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -31.15 71.75 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.939 1.695 . . . . 0.0 110.663 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.5 -29.12 23.41 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.182 0.993 . . . . 0.0 111.09 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -66.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.12 1.368 . . . . 0.0 109.643 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.4 ptm -65.45 -27.83 68.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.26 0.553 . . . . 0.0 111.423 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.27 51.84 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.726 1.21 . . . . 0.0 110.293 173.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.51 17.23 0.98 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.639 1.59 . . . . 0.0 113.223 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 157.49 15.92 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 119.306 1.553 . . . . 0.0 110.268 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.84 -59.51 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.038 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -133.39 74.7 1.57 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.414 -2.81 . . . . 0.0 103.414 -168.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 tp -145.55 6.64 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.257 0.623 . . . . 0.0 112.001 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.29 -77.12 0.24 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 159.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -58.26 -60.03 4.4 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.517 ' CD2' ' H ' ' A' ' 73' ' ' LEU . 1.1 pt? -62.76 -13.87 38.06 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.006 0.923 . . . . 0.0 112.742 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.26 -34.63 20.34 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.665 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 15.3 mt-10 -52.48 -29.32 24.25 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.17 1.788 . . . . 0.0 109.878 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.76 -1.53 28.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.689 2.395 . . . . 0.0 113.145 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 mtt -120.98 -54.5 2.02 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 127.221 2.208 . . . . 0.0 109.671 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 75' ' ' GLU . 2.0 pp -66.76 -50.71 61.85 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 125.257 1.423 . . . . 0.0 108.944 -168.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.39 -47.55 85.28 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -70.73 3.53 3.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.748 -1.845 . . . . 0.0 115.562 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -45.46 27.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.739 -1.851 . . . . 0.0 109.786 174.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.49 4.34 0.43 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 124.117 0.886 . . . . 0.0 113.369 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 p 61.31 7.89 1.89 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.549 2.34 . . . . 0.0 114.193 -163.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.92 -24.2 2.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.759 1.224 . . . . 0.0 113.117 -158.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 126.022 1.729 . . . . 0.0 110.427 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.955 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -156.91 -65.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 118.827 1.314 . . . . 0.0 110.708 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -66.57 110.46 3.19 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -129.4 163.03 26.7 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.14 0.976 . . . . 0.0 108.719 -177.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.8 46.86 15.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.936 2.095 . . . . 0.0 108.595 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -66.24 -51.47 57.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.014 0.926 . . . . 0.0 110.702 -167.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.18 112.8 3.86 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 127.206 2.203 . . . . 0.0 105.799 -168.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.81 10.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 126.194 1.798 . . . . 0.0 107.685 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt 72.59 -42.45 0.53 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 130.257 3.423 . . . . 0.0 110.91 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.45 17.87 18.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.177 1.791 . . . . 0.0 112.586 -171.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -46.62 -65.65 0.52 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 125.366 1.466 . . . . 0.0 113.362 -169.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -89.22 35.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.389 1.476 . . . . 0.0 111.155 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.3 -41.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.847 2.059 . . . . 0.0 109.088 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.0 -7.64 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -174.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -120.58 -27.14 5.18 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.172 1.389 . . . . 0.0 113.247 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -37.36 82.28 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 108.969 167.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.56 1.98 39.42 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.382 -0.824 . . . . 0.0 112.125 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.2 t -122.01 -28.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -71.13 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.571 1.532 . . . . 0.0 110.82 -168.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -53.17 -17.11 1.45 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.819 1.248 . . . . 0.0 113.978 167.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.57 -24.96 15.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.284 1.433 . . . . 0.0 111.472 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.97 -71.78 0.42 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.953 1.701 . . . . 0.0 107.073 156.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -42.21 -76.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.456 1.902 . . . . 0.0 114.647 -161.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.8 74.04 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 122.909 1.338 . . . . 0.0 107.679 -172.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -51.49 156.51 1.26 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.932 2.493 . . . . 0.0 110.385 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.66 136.63 13.12 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -163.29 -177.92 5.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.179 2.192 . . . . 0.0 106.773 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.5 p -158.48 28.89 0.24 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.431 1.093 . . . . 0.0 111.762 166.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -103.82 -101.07 0.3 Allowed 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.013 -1.054 . . . . 0.0 110.133 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -30.62 31.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.387 1.475 . . . . 0.0 109.484 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -63.48 -44.23 94.98 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 120.8 -1.187 . . . . 0.0 109.558 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.95 -39.81 75.26 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.686 1.194 . . . . 0.0 109.347 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 0.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.559 1.944 . . . . 0.0 115.245 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -132.0 -24.24 2.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 122.278 2.308 . . . . 0.0 109.134 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.3 -40.09 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.466 165.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.56 -8.36 0.54 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.918 2.087 . . . . 0.0 116.395 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.09 -26.54 10.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.896 1.278 . . . . 0.0 111.137 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -56.87 -35.88 69.42 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.699 1.59 . . . . 0.0 112.638 -173.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -59.11 -41.89 89.21 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.082 2.953 . . . . 0.0 109.926 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.27 -36.57 66.37 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.445 176.296 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.48 -22.2 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 116.946 -1.502 . . . . 0.0 112.148 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -17.42 29.98 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 123.219 2.736 . . . . 0.0 114.219 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -120.52 58.0 0.94 Allowed 'General case' 0 C--O 1.237 0.424 0 C-N-CA 127.853 2.461 . . . . 0.0 109.197 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.69 109.17 16.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.55 -68.38 0.19 Allowed 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 126.172 1.789 . . . . 0.0 110.172 -171.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -166.5 164.48 17.15 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.404 1.881 . . . . 0.0 108.403 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -57.56 -28.08 63.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.421 1.489 . . . . 0.0 113.734 -171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.7 m -70.96 -69.67 0.35 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.665 1.12 . . . . 0.0 109.303 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.37 -24.79 66.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.181 1.393 . . . . 0.0 111.8 -164.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.32 -86.56 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 129.147 2.979 . . . . 0.0 111.626 163.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -32.59 64.31 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 111.208 -171.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.67 -56.23 16.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.2 1.4 . . . . 0.0 109.242 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.93 -30.07 68.45 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.453 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.82 -41.08 44.0 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.928 1.24 . . . . 0.0 112.403 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.18 -39.74 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.4 t -70.47 -47.03 62.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -49.61 8.6 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.498 1.045 . . . . 0.0 109.991 173.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.8 -41.05 83.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.228 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -61.11 -31.0 70.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.535 1.061 . . . . 0.0 113.608 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.89 -37.43 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 119.281 0.946 . . . . 0.0 111.284 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -29.35 70.49 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 126.274 1.83 . . . . 0.0 110.196 174.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.7 45.67 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 124.65 1.18 . . . . 0.0 109.829 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -54.24 -59.78 4.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.345 1.058 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.3 ptp -74.81 -21.32 59.36 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.814 1.245 . . . . 0.0 112.186 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -62.07 -40.86 97.25 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 172.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.35 68.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 128.042 2.734 . . . . 0.0 111.004 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.35 86.84 1.49 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 117.989 0.894 . . . . 0.0 112.001 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.97 -29.94 48.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.11 -0.994 . . . . 0.0 111.499 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -117.9 62.68 0.75 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.381 1.086 . . . . 0.0 109.108 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -144.85 15.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.199 165.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.11 -75.36 0.44 Allowed 'General case' 0 C--N 1.339 0.143 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -66.01 -58.52 5.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.893 0.769 . . . . 0.0 111.764 -173.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.78 -5.79 2.23 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -177.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -19.58 13.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.311 -1.328 . . . . 0.0 111.934 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.85 66.68 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 121.499 1.954 . . . . 0.0 109.968 174.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.99 -15.46 56.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.795 1.638 . . . . 0.0 110.455 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.1 ttm -107.81 -54.43 2.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.273 1.829 . . . . 0.0 109.502 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -51.77 14.32 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.905 1.23 . . . . 0.0 110.302 -170.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.12 -38.8 86.22 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.249 1.019 . . . . 0.0 109.319 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -18.36 62.34 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.036 -1.665 . . . . 0.0 112.572 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.23 73.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 120.781 -1.199 . . . . 0.0 109.196 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.31 3.57 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p 47.69 32.46 2.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.01 1.324 . . . . 0.0 113.107 -164.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -151.41 -59.25 0.17 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.256 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 130.243 3.417 . . . . 0.0 110.869 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 CA-C-O 119.926 -0.375 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.39 142.63 11.39 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.475 1.91 . . . . 0.0 106.472 164.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -60.31 142.29 54.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 109.626 170.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.81 -9.09 1.84 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.951 1.3 . . . . 0.0 112.15 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.3 tpt -149.74 48.52 0.94 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -71.37 -38.81 71.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 120.365 -1.46 . . . . 0.0 111.978 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -160.13 104.41 1.49 Allowed 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.89 18.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 128.69 2.796 . . . . 0.0 106.546 -172.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 71.11 -31.06 0.22 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 129.726 3.21 . . . . 0.0 113.824 173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.48 60.62 1.66 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.938 1.295 . . . . 0.0 107.885 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.9 p -75.2 -92.81 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 p -94.04 35.16 1.18 Allowed 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.745 -1.222 . . . . 0.0 109.375 -171.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.67 -35.46 3.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 C-N-CA 124.538 1.135 . . . . 0.0 109.096 -175.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.255 35.2 m -61.79 -45.15 99.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 C-N-CA 123.201 0.601 . . . . 0.0 111.162 -167.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.42 -27.94 60.85 Favored 'General case' 0 N--CA 1.461 0.094 0 O-C-N 120.121 -1.612 . . . . 0.0 111.712 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.32 -15.43 63.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.569 0.748 . . . . 0.0 111.231 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -101.28 -0.26 36.05 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.975 1.71 . . . . 0.0 111.971 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.18 -69.55 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.94 0.896 . . . . 0.0 111.178 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -72.69 0.34 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -169.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -48.27 -33.55 8.92 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -41.74 -28.8 0.16 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 128.676 2.79 . . . . 0.0 113.192 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.06 -22.61 0.45 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.64 1.576 . . . . 0.0 113.427 161.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -77.55 -74.48 0.25 Allowed 'General case' 0 C--O 1.227 -0.089 0 O-C-N 120.849 -1.157 . . . . 0.0 110.639 -168.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.11 63.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 127.772 2.429 . . . . 0.0 107.568 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.51 120.84 6.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.518 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -51.88 75.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.485 3.114 . . . . 0.0 114.715 -158.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -137.28 53.96 1.86 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.05 2.14 . . . . 0.0 109.392 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -154.75 154.19 32.44 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.262 0.625 . . . . 0.0 110.122 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -34.02 13.73 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.432 0.693 . . . . 0.0 110.882 153.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -53.17 47.94 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 111.061 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.94 91.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.463 0.649 . . . . 0.0 110.086 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.05 73.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.184 1.393 . . . . 0.0 111.72 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.1 0.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.637 1.975 . . . . 0.0 113.458 166.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -28.3 1.62 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 120.98 1.718 . . . . 0.0 106.945 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.33 -35.4 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.452 167.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -53.39 -41.26 65.75 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.209 . . . . 0.0 111.737 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -39.5 49.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 128.687 2.795 . . . . 0.0 110.299 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -36.17 55.0 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.294 0.952 . . . . 0.0 110.619 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -66.47 -23.11 66.22 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 123.738 0.815 . . . . 0.0 112.417 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -47.5 11.95 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.483 -0.761 . . . . 0.0 109.929 169.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.87 -28.56 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 116.769 -1.586 . . . . 0.0 111.477 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -37.91 10.01 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 116.124 -1.893 . . . . 0.0 113.385 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.1 mt -110.75 52.37 0.74 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 119.943 1.247 . . . . 0.0 111.035 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.58 96.94 6.94 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.666 1.186 . . . . 0.0 109.694 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? 66.77 -58.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 128.352 2.661 . . . . 0.0 114.775 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.8 143.68 27.66 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 m -57.14 -20.49 26.31 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.83 0.741 . . . . 0.0 111.524 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -60.97 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.261 1.424 . . . . 0.0 110.396 162.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.29 -21.12 64.97 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.967 1.707 . . . . 0.0 112.765 -166.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 129.408 3.083 . . . . 0.0 110.918 163.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -58.76 -30.42 67.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -167.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -48.27 -55.64 10.04 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.425 1.49 . . . . 0.0 107.596 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.69 67.59 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.414 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.8 ttt -61.51 -20.88 63.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.552 2.341 . . . . 0.0 111.806 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.1 t -100.42 -21.41 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 119.604 1.093 . . . . 0.0 109.254 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 127.465 2.306 . . . . 0.0 112.884 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.85 -64.92 0.2 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.124 2.569 . . . . 0.0 110.425 170.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.21 -25.52 68.37 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.029 -1.462 . . . . 0.0 113.763 -172.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -63.67 -49.76 71.91 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.508 1.504 . . . . 0.0 110.926 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.3 p -75.96 -39.59 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.259 0.624 . . . . 0.0 110.632 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -32.3 73.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.973 1.709 . . . . 0.0 109.68 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -20.62 65.7 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 120.644 1.565 . . . . 0.0 110.613 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -52.65 64.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.2 ptp -71.32 -23.94 62.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -24.53 64.42 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.31 53.6 0.19 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 126.391 1.948 . . . . 0.0 110.909 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 172.42 13.75 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.828 1.314 . . . . 0.0 109.91 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 69' ' ' ASP . 5.9 m -80.63 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 157.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' H ' HG21 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -132.15 98.04 4.31 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -176.385 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -149.47 1.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 126.596 1.959 . . . . 0.0 111.13 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -66.27 -80.05 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 159.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -58.28 -52.53 65.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.988 1.315 . . . . 0.0 113.494 -162.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' CD2' ' H ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -70.04 -13.47 62.24 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 111.078 -178.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.71 -27.44 20.08 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 117.007 -1.473 . . . . 0.0 109.25 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.12 -21.4 22.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.36 1.891 . . . . 0.0 112.916 173.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -77.99 -61.73 1.9 Allowed 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 164.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.9 ttm -48.96 -45.84 42.61 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 117.648 -1.167 . . . . 0.0 112.628 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.04 -60.7 2.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.562 2.345 . . . . 0.0 109.6 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.41 -34.2 70.5 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 122.795 1.284 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -20.41 44.5 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 119.488 -2.008 . . . . 0.0 112.274 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -48.34 63.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 120.336 -1.478 . . . . 0.0 107.904 178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 2.9 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 -165.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.291 25.5 p 49.36 25.93 1.45 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.13 0.967 . . . . 0.0 111.523 -163.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -145.89 -82.06 0.14 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 -172.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--O 1.248 1.011 0 C-N-CA 129.396 3.078 . . . . 0.0 110.288 -174.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.701 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.28 -44.0 0.2 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.355 176.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -67.83 -66.87 0.51 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.26 0.936 . . . . 0.0 110.075 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HE3' ' A' ' 4' ' ' LYS 0.256 0.1 OUTLIER 74.06 -167.96 0.1 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.245 1.418 . . . . 0.0 111.998 178.836 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.428 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 25.3 ttm -78.45 86.69 4.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.479 1.512 . . . . 0.0 108.405 -170.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -75.36 -61.07 2.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.993 0.902 . . . . 0.0 110.327 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -161.3 110.41 1.59 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.185 1.394 . . . . 0.0 107.321 -159.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.91 -1.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 125.022 1.329 . . . . 0.0 109.612 -171.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt 69.9 138.34 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 129.557 3.143 . . . . 0.0 109.026 -172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.0 m 43.46 55.82 4.66 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.478 0.711 . . . . 0.0 110.83 -169.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -66.24 -85.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.119 0.961 . . . . 0.0 110.545 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -89.92 36.64 0.86 Allowed 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.61 -1.306 . . . . 0.0 110.094 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.62 -25.83 2.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 O-C-N 120.814 -1.179 . . . . 0.0 110.359 -173.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.269 33.3 m -53.27 -41.98 45.42 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 118.045 0.384 . . . . 0.0 111.614 -177.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.26 -31.71 66.02 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.593 -1.317 . . . . 0.0 112.446 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.06 -9.88 58.79 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.63 1.572 . . . . 0.0 112.504 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -117.84 1.25 12.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.887 1.275 . . . . 0.0 111.635 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.02 -54.5 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.75 -73.29 0.47 Allowed 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -28.45 36.05 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -172.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -51.59 -26.09 8.13 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.655 2.382 . . . . 0.0 111.45 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 -43.98 1.79 Allowed 'General case' 0 C--N 1.344 0.349 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 161.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -73.79 -25.09 59.96 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 121.313 1.869 . . . . 0.0 115.37 -164.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.6 -104.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.25 2.5 tt0 82.41 102.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.155 2.982 . . . . 0.0 110.871 175.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m 46.67 54.14 9.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.987 2.515 . . . . 0.0 112.62 169.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -91.91 -60.41 1.87 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.058 1.743 . . . . 0.0 110.99 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -161.69 157.22 24.11 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.563 1.545 . . . . 0.0 108.302 -175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -68.04 -8.28 36.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.143 166.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 HE21 ' A' ' 65' ' ' GLN . 44.2 tp -53.42 -48.31 68.84 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 120.787 1.63 . . . . 0.0 110.003 166.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -51.5 69.45 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.39 64.32 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 125.979 1.712 . . . . 0.0 112.619 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.43 -16.76 6.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.003 1.721 . . . . 0.0 112.291 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -112.71 -17.28 12.61 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.895 1.278 . . . . 0.0 112.65 171.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.24 -45.63 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.106 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.859 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.61 -56.09 3.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.313 1.415 . . . . 0.0 111.932 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.94 63.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.532 1.133 . . . . 0.0 112.2 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -42.58 80.4 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.172 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.35 -44.54 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -76.94 -28.66 55.3 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.93 -173.121 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.48 -26.81 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 126.246 1.818 . . . . 0.0 110.731 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -30.68 67.66 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 122.374 2.352 . . . . 0.0 113.116 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.19 53.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.789 0.681 . . . . 0.0 109.592 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.81 -61.88 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -130.67 -73.02 0.55 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.496 1.119 . . . . 0.0 108.946 -171.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.93 157.73 45.79 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 129.603 3.161 . . . . 0.0 104.116 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.9 m -58.47 -18.9 32.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.737 1.215 . . . . 0.0 112.032 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -71.49 -84.47 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.686 1.194 . . . . 0.0 108.288 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.26 -15.47 62.53 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -164.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.156 1.783 . . . . 0.0 110.468 160.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -35.11 65.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.889 0.476 . . . . 0.0 111.167 -171.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -48.31 -54.21 14.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.015 0.926 . . . . 0.0 109.804 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -69.23 -30.97 69.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.347 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 ttt -52.36 -33.74 44.38 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.896 1.225 . . . . 0.0 112.422 171.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.78 -47.67 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.7 t -59.8 -44.74 93.82 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -170.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -49.7 38.01 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.26 0.624 . . . . 0.0 110.993 173.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.76 -31.33 69.23 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.328 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -63.52 -41.34 98.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.288 1.035 . . . . 0.0 112.169 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.36 -37.54 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 121.702 -0.624 . . . . 0.0 110.798 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -29.82 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.349 -1.469 . . . . 0.0 110.263 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.73 -33.5 23.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 110.294 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -53.58 -66.14 0.44 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.77 1.228 . . . . 0.0 110.132 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.1 ptp -63.68 -26.82 68.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.749 1.22 . . . . 0.0 112.235 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.408 HE21 HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.9 -13.33 59.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 122.969 0.508 . . . . 0.0 111.207 175.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.6 41.52 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 C-N-CA 126.252 1.882 . . . . 0.0 110.958 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.59 55.74 1.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 119.183 1.491 . . . . 0.0 109.973 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 p -53.66 -34.69 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.727 -0.608 . . . . 0.0 111.648 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -97.64 77.66 2.58 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -146.13 30.22 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.752 156.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -108.61 -72.44 0.72 Allowed 'General case' 0 N--CA 1.462 0.141 0 O-C-N 121.229 -0.919 . . . . 0.0 109.579 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.96 -51.82 62.57 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.931 -1.106 . . . . 0.0 112.99 -173.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' CD2' ' H ' ' A' ' 73' ' ' LEU . 2.0 pt? -69.58 -0.18 6.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.518 1.127 . . . . 0.0 113.125 172.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 t -109.77 -11.08 14.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 115.563 -2.161 . . . . 0.0 110.608 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -29.46 7.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 121.361 1.891 . . . . 0.0 111.805 -171.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.32 -3.77 1.02 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.23 -1.27 10.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.087 1.355 . . . . 0.0 110.831 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 -65.71 1.03 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.026 1.331 . . . . 0.0 108.422 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.96 -47.46 65.57 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 125.267 1.427 . . . . 0.0 109.396 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -75.39 -12.59 60.29 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.09 -1.631 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.44 -51.72 58.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.922 0.889 . . . . 0.0 109.358 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.63 10.46 0.1 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.119 1.368 . . . . 0.0 111.197 -170.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.287 43.9 p 61.33 13.29 4.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.047 1.739 . . . . 0.0 114.326 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 -24.3 0.64 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.873 0.869 . . . . 0.0 113.232 -166.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.245 0.86 0 C-N-CA 127.973 2.509 . . . . 0.0 111.98 -161.011 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.621 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -49.85 -38.07 33.55 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.873 1.269 . . . . 0.0 111.408 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -123.33 157.95 32.11 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 158.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -162.04 -29.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.779 1.632 . . . . 0.0 112.258 173.111 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.38 70.2 1.43 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -76.9 104.67 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 120.638 -1.289 . . . . 0.0 107.678 171.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.378 0.5 OUTLIER 47.21 115.1 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.043 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 -173.098 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.72 26.57 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.524 1.93 . . . . 0.0 108.273 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 76.91 -60.07 0.47 Allowed 'General case' 0 C--N 1.343 0.3 0 C-N-CA 128.961 2.904 . . . . 0.0 110.324 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -80.53 -2.79 47.6 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.39 1.076 . . . . 0.0 113.531 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -24.94 -74.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.871 2.868 . . . . 0.0 112.671 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 p -119.69 37.42 4.19 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.833 0.853 . . . . 0.0 110.265 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 m -94.53 -50.52 11.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.8 t -51.71 -66.9 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 C-N-CA 126.256 1.823 . . . . 0.0 110.551 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 tp -69.57 -28.51 66.04 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.919 -1.112 . . . . 0.0 110.95 -168.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.05 -7.0 46.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 -0.08 10.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.723 2.009 . . . . 0.0 111.82 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.74 -29.99 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 O-C-N 120.162 -1.586 . . . . 0.0 112.175 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 HH11 ' A' ' 23' ' ' ARG . 1.0 OUTLIER -108.0 -72.76 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.451 1.023 . . . . 0.0 108.685 -176.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -13.92 6.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -35.11 -38.39 0.09 Allowed 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 128.305 2.642 . . . . 0.0 112.318 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -26.4 0.9 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.658 0.783 . . . . 0.0 112.114 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.485 HH11 HD12 ' A' ' 19' ' ' LEU . 92.5 mtt180 -71.72 -44.96 63.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -155.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -121.19 -175.15 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.631 1.573 . . . . 0.0 108.722 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 95.63 111.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 1 C-N-CA 132.533 4.333 . . . . 0.0 109.693 -177.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -138.84 -76.03 0.37 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.29 1.036 . . . . 0.0 110.411 162.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -149.16 15.92 0.93 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.969 1.259 . . . . 0.0 112.939 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -108.85 153.28 23.74 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.874 1.215 . . . . 0.0 112.134 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -90.63 -8.76 49.21 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.656 1.183 . . . . 0.0 110.79 161.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -52.19 -49.29 64.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 120.747 1.612 . . . . 0.0 110.233 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -45.25 92.26 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.999 0.52 . . . . 0.0 112.173 174.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.88 66.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.335 1.054 . . . . 0.0 111.06 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.06 -20.35 65.82 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 117.959 -1.02 . . . . 0.0 112.969 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -92.98 -27.15 17.2 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 120.163 1.347 . . . . 0.0 111.98 163.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.265 0.4 OUTLIER -60.22 -44.81 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 119.71 1.141 . . . . 0.0 109.297 178.316 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.97 -52.46 33.41 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.358 1.436 . . . . 0.0 114.514 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.41 -17.5 64.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.659 1.584 . . . . 0.0 113.033 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -56.85 -29.69 63.11 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 121.781 2.082 . . . . 0.0 110.69 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -72.35 -5.78 38.74 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.971 0.908 . . . . 0.0 112.841 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -110.41 -36.9 5.66 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.345 -1.472 . . . . 0.0 112.982 176.414 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.41 -14.67 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 110.859 171.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -35.0 62.71 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 122.299 2.318 . . . . 0.0 110.479 170.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.8 58.33 0.61 Allowed 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.54 -48.71 9.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.354 -1.338 . . . . 0.0 110.32 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -151.58 -54.13 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.914 0.779 . . . . 0.0 112.489 -173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -155.1 160.02 40.66 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 129.194 2.998 . . . . 0.0 104.08 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.4 m -56.92 -34.31 67.82 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.052 1.751 . . . . 0.0 112.659 -174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -63.47 -74.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.38 -23.56 25.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.801 1.64 . . . . 0.0 113.032 -172.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.89 -81.57 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 126.773 2.029 . . . . 0.0 110.944 168.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -37.62 35.26 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 123.123 0.569 . . . . 0.0 110.914 -173.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 64.4 mt-10 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 126.717 2.007 . . . . 0.0 112.609 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -58.47 -35.4 72.12 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 120.587 1.539 . . . . 0.0 110.656 168.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -29.6 61.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.796 1.18 . . . . 0.0 109.915 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.1 m -76.93 -22.05 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 124.062 0.945 . . . . 0.0 111.497 170.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -83.41 -50.64 8.12 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.2 -42.99 3.2 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 119.428 1.013 . . . . 0.0 111.925 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -79.83 -23.45 42.02 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -61.46 -55.12 34.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.552 1.069 . . . . 0.0 111.893 165.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.57 -42.31 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.825 0.821 . . . . 0.0 109.54 -171.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.62 -27.5 62.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.746 1.218 . . . . 0.0 111.587 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -29.12 65.66 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 120.391 1.451 . . . . 0.0 109.831 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -49.55 -68.02 0.21 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.478 1.911 . . . . 0.0 109.454 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.92 -28.11 68.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.105 0.962 . . . . 0.0 112.014 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -21.84 65.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 0.677 . . . . 0.0 111.55 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.66 11.65 0.29 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-O 116.943 -2.032 . . . . 0.0 114.948 -173.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.26 97.09 10.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 121.427 2.614 . . . . 0.0 110.759 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -38.41 -56.37 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.339 1.855 . . . . 0.0 109.904 164.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -148.51 106.3 3.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -24.41 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 115.865 -2.017 . . . . 0.0 110.125 155.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -44.92 -64.01 0.8 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.74 1.609 . . . . 0.0 109.932 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.02 -49.75 68.96 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.084 0.553 . . . . 0.0 111.138 -175.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.17 -21.13 30.73 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.955 1.702 . . . . 0.0 112.036 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.97 -35.02 9.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 116.43 -1.747 . . . . 0.0 107.321 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -57.54 -33.44 68.1 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 121.642 2.019 . . . . 0.0 109.877 168.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.0 -1.32 5.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.861 1.664 . . . . 0.0 111.605 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.3 mtp -115.91 -41.47 3.19 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.762 2.025 . . . . 0.0 110.321 164.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.72 -70.61 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.219 1.827 . . . . 0.0 109.21 -166.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -34.76 49.17 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 126.041 1.736 . . . . 0.0 108.325 172.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -81.44 -16.44 52.05 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -49.47 40.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.494 1.497 . . . . 0.0 108.329 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 0.89 0.23 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.6 -159.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 p 53.83 22.5 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.565 1.075 . . . . 0.0 113.564 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -152.35 -45.7 0.1 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.117 1.767 . . . . 0.0 108.602 -172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.48 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.556 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 74.17 142.21 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.642 2.377 . . . . 0.0 109.325 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m 42.67 53.05 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.072 1.749 . . . . 0.0 112.61 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HZ1' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -61.41 -9.88 6.35 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.339 -0.851 . . . . 0.0 113.09 177.209 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.2 ttt -132.05 65.97 1.56 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -72.35 80.02 1.02 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.879 2.471 . . . . 0.0 110.024 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.324 0.4 OUTLIER 46.16 104.37 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 128.519 2.728 . . . . 0.0 115.032 -175.219 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 t -146.2 5.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 127.644 2.378 . . . . 0.0 108.984 -158.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 71.26 155.69 0.15 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 129.455 3.102 . . . . 0.0 109.118 -173.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER 49.14 -17.68 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 130.112 3.365 . . . . 0.0 118.932 -174.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -42.35 -69.12 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 C-N-CA 127.091 2.156 . . . . 0.0 111.825 -166.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -98.2 36.38 1.6 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.345 -0.847 . . . . 0.0 111.41 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.15 -41.04 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 123.944 0.897 . . . . 0.0 110.714 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.65 -46.98 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.923 0.783 . . . . 0.0 113.048 -169.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 2.9 tt -63.92 -42.42 97.4 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.416 0.686 . . . . 0.0 109.297 175.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.22 -12.69 54.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.431 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -103.72 1.69 32.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.497 1.519 . . . . 0.0 112.106 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -120.64 -85.35 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.031 1.333 . . . . 0.0 111.615 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -60.4 2.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.474 -1.392 . . . . 0.0 110.128 -168.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.93 -35.45 10.68 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 174.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -36.58 29.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.854 1.261 . . . . 0.0 111.242 -175.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.52 -6.88 4.68 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.82 -66.47 0.71 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.972 1.26 . . . . 0.0 111.433 -163.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' H ' ' A' ' 25' ' ' GLU 0.299 4.1 p -84.98 -160.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 167.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -142.81 177.14 8.54 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.311 1.845 . . . . 0.0 107.461 -176.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -78.46 -8.08 58.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' H ' ' HB3' ' A' ' 25' ' ' GLU . 3.3 t -86.16 172.54 10.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.517 1.053 . . . . 0.0 110.744 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t 64.7 135.55 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.843 2.857 . . . . 0.0 112.87 -168.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -82.18 -18.49 42.55 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 116.933 -1.508 . . . . 0.0 112.299 167.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.15 -47.36 81.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 120.934 1.697 . . . . 0.0 109.471 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -54.39 -56.18 21.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.213 1.005 . . . . 0.0 111.456 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.08 73.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 127.87 2.468 . . . . 0.0 112.459 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -57.28 -28.72 63.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.542 1.137 . . . . 0.0 110.755 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -32.09 17.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.744 1.618 . . . . 0.0 112.14 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.49 -41.08 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.102 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.92 -32.53 72.02 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.4 1.455 . . . . 0.0 112.958 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -46.99 80.2 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.913 0.885 . . . . 0.0 111.097 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.33 -33.71 21.25 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.495 1.043 . . . . 0.0 110.839 176.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -66.38 -19.64 65.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.562 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -38.12 10.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 126.534 1.933 . . . . 0.0 111.763 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.58 -20.4 24.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 125.288 1.435 . . . . 0.0 110.295 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -54.27 -35.65 62.78 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.452 2.301 . . . . 0.0 110.717 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD13 ' HZ1' ' A' ' 4' ' ' LYS . 48.2 mt -113.33 56.48 0.69 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 167.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.76 9.63 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -140.2 -75.41 0.34 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -137.8 161.98 35.16 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.175 1.79 . . . . 0.0 106.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -55.2 -34.92 64.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.753 1.615 . . . . 0.0 111.461 -170.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -60.86 -76.8 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.591 0.557 . . . . 0.0 110.043 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.82 -25.61 65.12 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.819 0.447 . . . . 0.0 111.808 -166.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.44 -83.46 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.779 2.032 . . . . 0.0 111.321 170.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -36.9 42.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.845 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.5 -54.17 47.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.822 0.849 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -55.99 -35.07 66.37 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.709 -1.244 . . . . 0.0 110.957 172.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -21.73 63.39 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.53 0.605 . . . . 0.0 110.145 -170.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.56 -41.7 29.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.862 1.265 . . . . 0.0 107.646 170.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -47.39 84.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.97 0.908 . . . . 0.0 111.89 -168.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -50.54 18.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.362 0.665 . . . . 0.0 112.4 172.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -23.91 63.15 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 116.636 -1.649 . . . . 0.0 112.6 -176.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.0 p -58.94 -50.61 73.4 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 121.085 1.766 . . . . 0.0 111.056 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.26 -30.8 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.073 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -32.86 74.39 Favored 'General case' 0 C--O 1.225 -0.195 0 O-C-N 120.836 -1.165 . . . . 0.0 110.167 170.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -30.52 65.84 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 120.456 1.48 . . . . 0.0 109.292 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -52.88 -63.13 1.25 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.661 1.185 . . . . 0.0 109.288 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.34 -25.4 65.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.173 0.589 . . . . 0.0 112.553 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -11.83 58.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.268 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.74 4.2 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.848 2.166 . . . . 0.0 113.228 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.22 50.27 1.69 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.42 1.11 . . . . 0.0 108.717 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -50.04 -27.08 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.854 1.262 . . . . 0.0 112.714 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 71' ' ' ASN . 6.7 m-20 -59.38 -52.41 65.75 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.272 1.829 . . . . 0.0 110.375 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tp -79.47 23.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 125.759 1.623 . . . . 0.0 110.346 -166.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.5 t-20 -79.55 -70.51 0.5 Allowed 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 160.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.35 -55.93 11.78 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.436 -1.415 . . . . 0.0 114.663 -163.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.608 ' H ' HD21 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -61.55 0.09 0.36 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.159 1.384 . . . . 0.0 113.184 171.193 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.97 -46.46 5.09 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 116.114 -1.898 . . . . 0.0 106.211 170.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.12 -25.14 12.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.547 1.976 . . . . 0.0 111.627 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -70.05 -70.14 0.31 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.602 0.761 . . . . 0.0 110.145 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.1 mmm -48.95 -40.39 30.11 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.017 1.327 . . . . 0.0 114.187 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.48 -51.0 21.99 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 127.036 2.134 . . . . 0.0 109.041 -173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.85 78.86 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 109.744 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -11.42 59.93 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 119.273 -2.142 . . . . 0.0 111.505 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -51.86 29.43 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.19 6.12 0.08 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.318 1.047 . . . . 0.0 112.396 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.7 p 57.41 30.34 18.43 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.469 1.508 . . . . 0.0 111.049 -173.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -161.0 -26.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -166.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.923 2.089 . . . . 0.0 112.146 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.4 t60 58.2 -87.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.652 1.581 . . . . 0.0 110.597 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -150.18 102.98 3.13 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HZ2' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.78 -42.04 62.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 112.267 -178.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.37 91.26 8.06 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -77.37 78.25 3.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.397 0.279 . . . . 0.0 110.637 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 13.1 t0 65.09 151.55 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.744 2.418 . . . . 0.0 112.11 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 t -154.4 -4.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.93 2.092 . . . . 0.0 110.015 -156.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 5.4 mmtt 63.65 -20.66 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.49 3.116 . . . . 0.0 114.436 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.74 9.87 7.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.277 0.944 . . . . 0.0 112.453 -157.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 t -53.25 -50.74 64.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.741 0.417 . . . . 0.0 111.258 -169.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.9 m -105.54 39.52 1.73 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.666 0.786 . . . . 0.0 110.213 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.49 -55.17 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 152.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.35 2.4 m -57.85 -69.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 120.964 1.711 . . . . 0.0 112.979 -166.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.33 -32.7 74.49 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -175.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD21 HE21 ' A' ' 20' ' ' GLN . 0.8 OUTLIER -53.68 -21.49 7.1 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.636 1.974 . . . . 0.0 113.423 174.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -117.59 1.69 12.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.154 1.782 . . . . 0.0 112.943 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.92 -79.12 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.612 1.096 . . . . 0.0 108.689 168.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -55.1 3.86 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 123.358 1.551 . . . . 0.0 110.078 -158.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.446 HE21 HD21 ' A' ' 16' ' ' LEU . 6.5 pm0 -71.11 -3.47 20.09 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 128.242 2.617 . . . . 0.0 115.659 172.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -41.83 -52.87 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 164.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.16 -26.65 0.71 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.486 -1.245 . . . . 0.0 113.467 -174.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.48 -80.55 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 120.314 1.415 . . . . 0.0 109.353 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.1 t -68.59 134.93 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.94 2.496 . . . . 0.0 105.209 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.09 153.21 31.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.441 -170.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 -171.16 0.18 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.481 1.912 . . . . 0.0 113.415 166.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -77.37 -28.49 52.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.247 -0.908 . . . . 0.0 112.973 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.43 ' HG ' ' NE2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER 24.39 73.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.759 2.824 . . . . 0.0 114.475 161.432 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -57.37 -19.26 21.88 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.374 -1.454 . . . . 0.0 113.802 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.9 tp -47.57 -60.88 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.116 1.766 . . . . 0.0 110.808 163.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.432 ' HE1' ' NE2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -62.45 -45.61 92.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.947 0.899 . . . . 0.0 110.553 178.142 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.9 59.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.8 0.84 . . . . 0.0 112.173 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.23 -34.31 56.55 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.791 2.037 . . . . 0.0 113.278 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.47 -29.65 21.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.075 0.55 . . . . 0.0 110.338 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.99 -42.73 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.297 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.91 -25.8 61.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.272 1.396 . . . . 0.0 113.342 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -26.89 22.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.598 1.159 . . . . 0.0 111.483 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -32.57 49.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.357 1.435 . . . . 0.0 110.635 171.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.17 -21.33 64.9 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.496 1.518 . . . . 0.0 113.766 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -53.16 6.63 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 169.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.44 -26.89 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 115.731 -2.081 . . . . 0.0 114.028 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.48 17.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 123.412 2.824 . . . . 0.0 113.058 -176.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 2.0 mp -116.01 51.96 0.93 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.56 3.21 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -133.02 -59.45 0.88 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.646 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -155.63 165.54 36.25 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.153 -2.165 . . . . 0.0 105.153 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -62.37 -20.7 64.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.091 1.356 . . . . 0.0 113.758 -167.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.1 m -79.72 -67.9 0.72 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -51.27 -31.31 20.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.396 2.279 . . . . 0.0 113.187 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -72.83 0.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 130.042 3.337 . . . . 0.0 110.826 172.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -35.05 62.3 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.877 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 20.7 mt-10 -65.87 -35.81 81.69 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.399 2.279 . . . . 0.0 111.08 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.31 -40.46 86.3 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 118.948 -2.345 . . . . 0.0 109.574 163.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -23.74 59.29 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.329 1.452 . . . . 0.0 111.435 -166.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.0 m -76.18 -43.3 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 126.552 1.941 . . . . 0.0 107.657 171.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.1 p -58.76 -47.25 85.33 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -40.88 31.59 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.97 1.308 . . . . 0.0 112.131 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.59 -38.22 59.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.041 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.47 -25.19 67.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.047 0.939 . . . . 0.0 113.494 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 p -93.63 -2.21 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 126.156 1.782 . . . . 0.0 111.788 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.13 -26.69 11.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.135 1.774 . . . . 0.0 110.926 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.7 -30.77 34.02 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.534 1.061 . . . . 0.0 110.837 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -60.73 2.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.113 1.365 . . . . 0.0 110.318 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 ptp -73.23 -23.74 60.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.485 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' NE2' ' HG ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -62.28 -31.82 72.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 118.673 0.669 . . . . 0.0 109.243 176.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.64 41.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.56 1.076 . . . . 0.0 113.221 -173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.11 126.1 46.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.163 1.482 . . . . 0.0 108.192 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.52 -52.75 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 120.157 1.344 . . . . 0.0 109.134 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.53 96.77 3.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -170.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -134.13 -15.37 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 123.769 0.828 . . . . 0.0 112.217 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -59.74 -58.11 9.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.31 59.31 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.53 0.25 20.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.497 1.044 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.3 t -124.42 -17.16 6.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.496 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -26.6 12.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.743 1.611 . . . . 0.0 113.228 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.03 -18.95 61.92 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.039 -1.038 . . . . 0.0 110.778 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 tpt -91.61 -8.79 46.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.636 1.574 . . . . 0.0 110.772 172.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.92 -73.76 0.52 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 122.541 1.162 . . . . 0.0 109.884 -156.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.97 -37.2 78.92 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.81 2.444 . . . . 0.0 109.266 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -0.21 57.34 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 119.893 -1.754 . . . . 0.0 112.159 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -69.79 -57.04 5.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.367 -1.458 . . . . 0.0 108.846 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.7 13.32 0.34 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.524 1.13 . . . . 0.0 111.463 -173.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.25 15.4 p 53.58 42.91 31.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 0.0 110.492 -166.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -34.29 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -163.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.507 0.723 . . . . 0.0 111.581 178.217 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.5 0 CA-C-O 118.505 -1.164 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 98.69 0.04 OUTLIER 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.479 1.512 . . . . 0.0 109.98 -175.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 66.21 149.26 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.625 1.17 . . . . 0.0 110.752 -171.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -126.12 -14.74 5.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.627 -1.296 . . . . 0.0 113.863 -173.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.95 20.06 19.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.93 2.092 . . . . 0.0 109.274 174.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p 47.64 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.077 1.751 . . . . 0.0 112.853 -168.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.75 130.33 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 128.938 2.895 . . . . 0.0 107.479 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -137.72 0.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.613 1.565 . . . . 0.0 109.824 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.313 4.6 mmmm 78.1 -60.14 0.42 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -88.76 84.97 6.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.662 0.785 . . . . 0.0 112.953 163.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -71.49 0.75 Allowed 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.109 0.563 . . . . 0.0 109.619 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -95.42 36.01 1.28 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.33 -1.481 . . . . 0.0 110.43 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.25 -38.43 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 120.75 -1.219 . . . . 0.0 109.976 -174.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG21 ' H ' ' A' ' 15' ' ' LEU . 1.9 m -47.07 -70.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 126.526 1.93 . . . . 0.0 109.173 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.546 ' H ' HG21 ' A' ' 14' ' ' VAL . 15.6 tp -57.15 -33.25 67.21 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.947 0.899 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -56.76 -26.24 57.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.974 1.709 . . . . 0.0 111.919 -178.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -110.07 3.69 20.55 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 130.817 3.647 . . . . 0.0 111.059 -174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.2 t -105.76 -86.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.944 1.298 . . . . 0.0 109.816 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.41 -61.6 1.8 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -173.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.621 HE21 HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -62.78 -4.21 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -47.54 -26.91 1.57 Allowed 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 126.916 2.086 . . . . 0.0 114.897 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 1.49 ' CD1' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -163.29 -28.94 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.869 1.667 . . . . 0.0 108.786 177.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.419 1.488 . . . . 0.0 112.694 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG11 HE21 ' A' ' 65' ' ' GLN . 40.4 t -100.73 126.54 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 175.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -55.81 -30.16 60.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.084 1.354 . . . . 0.0 112.233 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t 91.82 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.817 2.447 . . . . 0.0 110.078 166.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -130.98 170.11 14.91 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.785 0.834 . . . . 0.0 110.547 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m 44.4 -167.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.77 1.628 . . . . 0.0 112.729 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.14 -6.26 16.53 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.622 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.77 -60.97 2.19 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 121.005 1.73 . . . . 0.0 108.848 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.427 ' CG ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -70.5 -40.12 73.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 120.448 -1.407 . . . . 0.0 110.857 -177.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.64 -24.14 60.54 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.243 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -58.27 -31.6 67.6 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.829 2.052 . . . . 0.0 111.174 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 m -85.53 -35.47 21.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 118.82 -0.609 . . . . 0.0 111.386 168.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 119.405 1.002 . . . . 0.0 111.609 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -53.62 -44.98 69.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.342 1.057 . . . . 0.0 109.685 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -38.37 66.39 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 117.412 -1.28 . . . . 0.0 108.543 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -37.67 61.92 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 121.195 1.816 . . . . 0.0 111.267 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.9 -31.64 71.96 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.045 0.938 . . . . 0.0 110.861 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 3.2 m-20 -87.53 -36.98 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.58 1.152 . . . . 0.0 110.389 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -52.45 -30.03 13.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 CA-C-N 120.268 1.395 . . . . 0.0 111.063 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -28.69 15.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 121.081 1.764 . . . . 0.0 113.922 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.19 49.54 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.506 0.504 . . . . 0.0 111.743 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.79 -45.0 10.71 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.518 -0.739 . . . . 0.0 110.888 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -147.14 -62.57 0.28 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.04 153.32 42.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 127.4 2.28 . . . . 0.0 106.475 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 m -61.01 -23.69 65.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.706 2.503 . . . . 0.0 112.213 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.8 m -67.74 -86.55 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 167.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.31 -35.18 1.4 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.328 2.251 . . . . 0.0 115.187 -173.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.4 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.472 1.509 . . . . 0.0 112.188 167.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -36.53 32.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.545 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.54 -58.22 5.01 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -72.94 -23.33 60.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.265 0.626 . . . . 0.0 112.397 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -23.3 67.23 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.47 -1.394 . . . . 0.0 111.272 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.6 t -83.49 -35.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.078 0 CA-C-O 116.987 -1.482 . . . . 0.0 108.14 171.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -55.7 -52.51 63.64 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.573 1.533 . . . . 0.0 112.299 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -49.64 6.75 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.255 0.622 . . . . 0.0 110.107 174.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.621 HD12 HE21 ' A' ' 20' ' ' GLN . 0.4 OUTLIER -70.68 -39.1 73.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.439 -178.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -26.81 54.74 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.136 2.174 . . . . 0.0 112.111 174.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -107.43 -2.59 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.806 1.242 . . . . 0.0 110.84 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 31' ' ' TRP . 2.9 tm? -104.86 -31.27 9.36 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 120.16 -1.587 . . . . 0.0 110.03 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -61.42 -20.26 62.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -49.74 -70.83 0.08 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 129.795 3.238 . . . . 0.0 112.12 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptm -66.03 -30.05 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.008 0.523 . . . . 0.0 111.158 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.466 HE21 HG11 ' A' ' 24' ' ' VAL . 7.9 mm100 -60.53 -27.78 67.9 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.676 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.34 54.34 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.68 1.133 . . . . 0.0 112.033 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.63 105.08 5.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 123.661 1.696 . . . . 0.0 111.166 171.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.345 7.6 p -82.46 -11.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.882 -1.136 . . . . 0.0 111.152 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -137.08 82.03 1.91 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.333 1.853 . . . . 0.0 106.56 -168.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.0 tp -160.19 17.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 123.509 0.723 . . . . 0.0 111.21 170.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -88.79 -62.29 1.52 Allowed 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -81.03 -45.86 15.9 Favored 'General case' 0 C--O 1.219 -0.531 0 O-C-N 121.762 -0.586 . . . . 0.0 111.469 -168.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -2.86 13.93 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.904 -1.747 . . . . 0.0 112.549 173.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.93 -26.09 9.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 117.028 -1.463 . . . . 0.0 110.628 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -34.55 20.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 120.19 1.359 . . . . 0.0 108.797 175.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.74 -7.86 48.02 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.311 1.844 . . . . 0.0 113.891 -176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 mtt -121.13 1.82 10.34 Favored 'General case' 0 N--CA 1.469 0.495 1 C-N-CA 134.244 5.018 . . . . 0.0 113.344 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -132.72 -73.87 0.5 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.97 -53.22 60.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 128.129 2.572 . . . . 0.0 108.391 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -76.24 -8.78 57.81 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 119.011 -2.306 . . . . 0.0 113.771 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -64.59 -60.08 3.54 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 120.081 1.309 . . . . 0.0 108.25 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.25 11.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.309 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.303 1.8 p 62.53 20.21 11.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.065 1.346 . . . . 0.0 112.842 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 tp -156.89 -61.5 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.105 0.562 . . . . 0.0 110.067 -163.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? . . . . . 0 C--O 1.256 1.412 0 C-N-CA 128.045 2.538 . . . . 0.0 111.05 176.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.346 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.2 65.65 1.45 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.451 1.9 . . . . 0.0 110.392 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -92.2 104.03 16.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.598 1.959 . . . . 0.0 109.489 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.373 3.2 p30 44.93 104.22 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 130.217 3.407 . . . . 0.0 114.244 -178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -147.07 24.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 130.147 3.379 . . . . 0.0 106.042 -163.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 72.46 -57.97 0.61 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 131.202 3.801 . . . . 0.0 111.106 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 m -119.96 45.27 2.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.698 1.599 . . . . 0.0 112.24 -161.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.4 m -47.32 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.342 1.857 . . . . 0.0 112.238 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.79 37.38 2.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.103 0.961 . . . . 0.0 110.563 -162.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -122.36 -49.94 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.255 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.275 34.8 m -49.27 -51.99 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -168.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.35 -27.9 59.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.058 -1.026 . . . . 0.0 111.799 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.23 -33.67 76.28 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 t -77.28 -2.8 36.63 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.77 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -121.14 -62.54 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.549 1.522 . . . . 0.0 110.785 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -76.0 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.881 -1.137 . . . . 0.0 111.426 -167.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.76 -11.67 1.05 Allowed 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -35.18 31.94 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.019 173.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -35.02 0.49 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.81 -1.091 . . . . 0.0 113.652 171.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -65.27 -73.54 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.138 1.336 . . . . 0.0 110.234 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 31' ' ' TRP . 1.9 p -92.23 125.05 44.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 126.71 2.004 . . . . 0.0 106.131 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.8 -76.17 0.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -165.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -171.94 154.31 3.47 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.281 1.432 . . . . 0.0 107.15 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.9 m 35.67 86.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.404 2.282 . . . . 0.0 114.175 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -132.34 110.11 10.34 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 163.72 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -51.86 -32.57 32.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.451 1.023 . . . . 0.0 110.871 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 64' ' ' MET . 5.0 tt -50.5 -63.39 1.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.439 1.496 . . . . 0.0 109.754 170.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.462 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -64.17 -39.53 94.19 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.567 -1.333 . . . . 0.0 111.564 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -60.0 -27.7 67.1 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -18.75 35.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.669 1.588 . . . . 0.0 112.802 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -110.74 -28.99 8.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.142 1.377 . . . . 0.0 111.877 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -64.42 -25.62 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 119.452 1.024 . . . . 0.0 111.16 177.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.196 0.907 . . . . 0.0 109.149 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.26 73.48 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.065 -1.022 . . . . 0.0 110.648 -170.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -32.47 38.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.025 -0.988 . . . . 0.0 112.729 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -66.74 -35.79 80.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.447 1.021 . . . . 0.0 110.23 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.53 -41.52 24.03 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.303 1.441 . . . . 0.0 108.172 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 mm -49.29 -24.29 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.427 2.291 . . . . 0.0 113.401 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -31.54 67.58 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 122.866 2.575 . . . . 0.0 113.41 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 43' ' ' LEU . 57.6 mt -107.54 54.73 0.66 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.15 0.98 . . . . 0.0 108.631 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 -40.83 12.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.453 0.471 . . . . 0.0 111.432 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -153.32 -74.23 0.13 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -163.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -151.1 161.17 43.23 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -55.04 -30.19 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.088 1.355 . . . . 0.0 112.651 -168.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -68.1 -77.46 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.801 0.84 . . . . 0.0 108.875 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.3 -24.14 67.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 112.607 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -59.47 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.396 1.878 . . . . 0.0 111.526 165.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.53 53.33 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.011 0.524 . . . . 0.0 110.91 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.24 -54.09 35.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.469 1.108 . . . . 0.0 110.413 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -21.89 63.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 122.073 -0.392 . . . . 0.0 110.039 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -29.73 70.87 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.784 -1.198 . . . . 0.0 109.23 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.73 -33.07 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.887 1.675 . . . . 0.0 108.984 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.6 t -52.72 -67.57 0.24 Allowed 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.777 1.231 . . . . 0.0 111.323 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -35.46 -61.56 0.44 Allowed 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.941 1.697 . . . . 0.0 112.114 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.21 -29.96 70.13 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -72.18 -35.1 68.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.585 0.629 . . . . 0.0 110.862 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -48.03 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.228 1.011 . . . . 0.0 109.387 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.21 -27.63 65.91 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.497 2.319 . . . . 0.0 112.437 -177.49 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.95 -21.88 66.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.985 -1.072 . . . . 0.0 109.777 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 m -57.23 -65.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.244 1.017 . . . . 0.0 110.57 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.522 ' HG3' HD21 ' A' ' 30' ' ' LEU . 18.0 ptp -58.41 -31.6 67.86 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.433 1.015 . . . . 0.0 110.855 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.52 -23.58 67.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.296 0.638 . . . . 0.0 111.493 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.17 14.48 0.09 OUTLIER Glycine 0 CA--C 1.532 1.122 0 CA-C-O 117.819 -1.545 . . . . 0.0 114.966 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.75 148.22 41.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.967 2.384 . . . . 0.0 112.273 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -120.15 -44.08 2.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 125.639 1.576 . . . . 0.0 108.506 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.51 90.44 3.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 70' ' ' ILE . 5.6 tp -140.12 10.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 O-C-N 121.606 -0.684 . . . . 0.0 111.31 156.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -81.35 -80.33 0.15 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.235 -1.386 . . . . 0.0 109.004 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.37 -61.78 2.11 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -163.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.7 pt? -54.56 0.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.544 2.338 . . . . 0.0 115.586 169.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.5 -27.34 6.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 116.582 -1.675 . . . . 0.0 108.353 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.24 -21.6 0.29 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 127.318 2.247 . . . . 0.0 113.588 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.48 -6.89 1.78 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 169.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -120.37 -2.43 10.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.238 1.415 . . . . 0.0 110.499 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.24 -68.28 0.93 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.982 1.713 . . . . 0.0 107.125 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.67 -35.89 79.69 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 120.614 -1.304 . . . . 0.0 110.857 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -90.69 6.65 43.13 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.757 -1.839 . . . . 0.0 111.382 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -74.58 -54.51 7.33 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.265 -1.522 . . . . 0.0 109.587 156.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.1 -4.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -154.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.273 15.0 p 52.16 27.01 4.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.393 1.877 . . . . 0.0 111.935 -166.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.55 -39.11 0.08 Allowed 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.253 -161.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.244 0.802 0 C-N-CA 127.007 2.123 . . . . 0.0 112.4 -148.182 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.91 134.42 34.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.101 1.76 . . . . 0.0 106.553 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -69.91 -167.16 0.14 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.548 0.613 . . . . 0.0 111.283 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -61.84 132.63 53.7 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 149.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.28 18.6 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 130.134 3.374 . . . . 0.0 105.156 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? 74.84 -48.12 0.64 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 131.569 3.948 . . . . 0.0 110.459 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.6 p -90.4 63.66 5.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.999 -173.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 p -60.42 -82.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.928 0.785 . . . . 0.0 110.261 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 5.5 t -121.92 38.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.973 -1.079 . . . . 0.0 110.526 -172.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 16.3 m -117.6 -26.33 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.509 -163.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.256 1.2 m -74.16 -33.82 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.043 1.292 . . . . 0.0 110.352 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.77 -30.01 67.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -3.98 8.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.762 2.025 . . . . 0.0 112.092 168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -119.58 -1.6 10.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.831 2.052 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -112.83 -56.86 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 125.105 1.362 . . . . 0.0 110.758 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -69.8 0.8 Allowed 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.355 -0.841 . . . . 0.0 109.147 -155.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -26.44 0.55 Allowed 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 125.504 1.522 . . . . 0.0 113.74 162.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.34 -32.91 5.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.14 1.776 . . . . 0.0 111.407 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -35.28 0.54 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.127 0.971 . . . . 0.0 113.574 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.94 -73.84 0.44 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -87.96 54.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.501 1.52 . . . . 0.0 108.581 173.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.6 60.56 1.67 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.156 -0.965 . . . . 0.0 110.649 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -152.94 138.06 17.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.372 -0.83 . . . . 0.0 109.639 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -77.12 127.1 32.05 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.992 0.917 . . . . 0.0 108.982 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 t -165.03 141.58 5.74 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.83 -32.98 69.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.331 0.968 . . . . 0.0 111.042 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.2 tt -44.76 -74.36 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.273 1.829 . . . . 0.0 109.931 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.02 73.1 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.083 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.25 -16.57 60.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.275 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -25.04 67.95 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.701 1.592 . . . . 0.0 111.922 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -101.11 -29.65 12.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 111.024 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -25.08 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 118.915 -1.114 . . . . 0.0 111.013 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -61.99 -58.82 6.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.737 1.608 . . . . 0.0 109.394 166.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -32.17 70.01 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.665 1.186 . . . . 0.0 111.397 -170.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -54.73 -30.67 56.81 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.91 -1.119 . . . . 0.0 112.477 176.131 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -14.88 61.43 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.581 1.552 . . . . 0.0 112.2 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -54.23 5.53 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 162.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mp -46.47 -33.4 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 115.158 -2.354 . . . . 0.0 113.557 -170.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.11 -39.01 2.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 122.994 2.634 . . . . 0.0 112.842 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -111.59 54.81 0.68 Allowed 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.7 5.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -140.44 -54.22 0.51 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.777 0.831 . . . . 0.0 111.058 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -149.42 157.86 43.67 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 129.028 2.931 . . . . 0.0 103.665 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.3 m -51.14 -43.42 61.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.999 1.32 . . . . 0.0 111.515 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 m -74.3 -65.17 0.88 Allowed 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.373 1.045 . . . . 0.0 108.999 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.9 -23.69 54.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.217 1.807 . . . . 0.0 114.139 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -68.09 -70.27 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.814 2.446 . . . . 0.0 110.112 166.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.62 -47.01 14.77 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.433 1.093 . . . . 0.0 110.892 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -49.89 -53.47 25.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.836 1.654 . . . . 0.0 109.745 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.25 -31.55 72.77 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.198 -0.939 . . . . 0.0 112.158 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.413 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -60.75 -35.15 75.67 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.617 1.567 . . . . 0.0 113.161 173.19 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -73.85 -32.72 35.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 123.946 0.898 . . . . 0.0 110.295 168.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -68.42 -46.76 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.31 -48.99 24.92 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 118.129 -0.938 . . . . 0.0 112.073 173.276 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.26 14.8 mt -64.5 -33.57 76.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.532 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -40.55 93.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.715 1.143 . . . . 0.0 113.658 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.7 -42.43 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.789 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -57.3 -27.94 62.62 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.906 1.682 . . . . 0.0 110.863 175.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -53.67 -14.12 0.82 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.273 174.196 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -33.66 -55.07 0.45 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 128.929 2.892 . . . . 0.0 111.098 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -85.21 -52.28 6.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.075 0.95 . . . . 0.0 110.643 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 7.1 mm100 -53.34 -27.08 21.57 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.337 1.055 . . . . 0.0 112.793 -168.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.3 31.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 CA-C-O 117.92 -1.489 . . . . 0.0 115.734 -169.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.28 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.114 1.957 . . . . 0.0 114.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.299 10.3 m 38.78 -62.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.648 1 C-N-CA 132.271 4.228 . . . . 0.0 112.986 -144.286 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.561 ' CA ' HD21 ' A' ' 73' ' ' LEU . 11.6 m-20 -73.3 53.86 0.4 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.329 2.252 . . . . 0.0 110.136 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tp -141.62 15.29 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 O-C-N 120.117 -1.614 . . . . 0.0 111.894 170.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.33 -71.73 0.73 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.587 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -56.27 6.62 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.553 1.07 . . . . 0.0 111.105 -171.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.682 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.2 pt? -61.78 1.56 0.25 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 172.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.8 t -112.52 -15.76 13.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.742 -2.075 . . . . 0.0 109.328 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -21.92 43.81 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 122.159 2.254 . . . . 0.0 112.118 -167.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -55.74 -6.72 0.23 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 166.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttp -114.23 -17.39 11.87 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 121.137 1.79 . . . . 0.0 110.131 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.92 -73.42 0.65 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.459 1.903 . . . . 0.0 108.106 -171.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.47 -47.03 63.28 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.011 1.324 . . . . 0.0 110.245 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.68 -12.24 60.01 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 120.435 -1.416 . . . . 0.0 112.881 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -65.9 -50.46 64.38 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.415 0.552 . . . . 0.0 110.304 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.73 1.18 0.16 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.428 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.251 23.2 p 49.39 28.45 2.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.86 1.264 . . . . 0.0 112.594 -166.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.72 -41.99 0.14 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.095 1.358 . . . . 0.0 111.207 -168.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.024 1.73 . . . . 0.0 109.297 170.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.31 36.78 0.59 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -71.88 -36.07 69.96 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 120.911 -1.118 . . . . 0.0 113.78 -157.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -153.79 110.27 3.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 167.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.37 17.05 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.379 2.672 . . . . 0.0 106.777 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt 61.83 92.69 0.05 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 129.346 3.058 . . . . 0.0 109.055 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m 102.93 -11.29 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.398 3.079 . . . . 0.0 114.037 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -37.43 -57.4 0.92 Allowed 'General case' 0 C--O 1.242 0.703 0 C-N-CA 126.056 1.742 . . . . 0.0 112.725 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -100.72 35.9 2.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.265 -0.897 . . . . 0.0 110.963 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.65 -31.82 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.225 1.41 . . . . 0.0 111.605 170.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.22 -43.06 75.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.531 0.681 . . . . 0.0 112.641 -171.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.52 -28.0 56.2 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 120.965 -1.085 . . . . 0.0 110.425 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.58 -10.23 50.11 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 126.038 1.735 . . . . 0.0 111.551 170.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -117.32 0.49 12.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.263 1.392 . . . . 0.0 112.712 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.06 -50.18 4.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 O-C-N 121.232 -0.917 . . . . 0.0 110.682 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.97 -69.78 0.67 Allowed 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.408 1.004 . . . . 0.0 109.873 -171.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -24.14 19.76 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -44.15 -45.36 8.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.396 1.878 . . . . 0.0 111.221 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -134.97 -38.06 0.79 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.296 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -71.41 -76.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.021 1.282 . . . . 0.0 109.386 -174.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.3 51.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.853 0.835 . . . . 0.0 109.617 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 88.12 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 169.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -155.3 168.82 25.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.827 1.251 . . . . 0.0 108.971 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.2 m -76.23 -174.85 2.94 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.085 0.554 . . . . 0.0 109.642 162.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t 95.54 122.36 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 C-N-CA 129.738 3.215 . . . . 0.0 109.628 172.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.65 0.48 5.43 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 117.803 -1.094 . . . . 0.0 111.659 167.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.55 -55.42 25.76 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 120.858 1.663 . . . . 0.0 109.222 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.78 -45.65 82.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.048 0.539 . . . . 0.0 111.612 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.28 68.99 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -20.17 61.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.614 1.566 . . . . 0.0 112.579 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.67 -26.34 12.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.201 1.401 . . . . 0.0 111.54 172.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -41.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.133 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -50.04 -52.39 34.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.499 1.499 . . . . 0.0 110.566 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.4 -28.93 69.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 120.829 -1.169 . . . . 0.0 111.987 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -37.84 64.16 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.439 1.472 . . . . 0.0 111.121 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -14.16 60.83 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 118.266 0.484 . . . . 0.0 111.458 -174.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -82.58 -43.6 16.86 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.756 1.222 . . . . 0.0 109.189 167.386 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 mp -55.16 -20.96 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 116.216 -1.849 . . . . 0.0 113.185 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -18.38 11.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 123.411 2.823 . . . . 0.0 114.486 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.97 58.96 0.8 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.75 1.34 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? 67.81 -68.88 0.15 Allowed 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.492 1.917 . . . . 0.0 111.221 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -112.38 -168.03 1.26 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.948 2.099 . . . . 0.0 108.545 -167.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -94.59 -36.8 11.65 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 162.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.5 m -70.19 -72.49 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.015 -171.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.71 -25.47 66.44 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.507 0.594 . . . . 0.0 111.099 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.45 -76.43 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.877 2.471 . . . . 0.0 111.08 167.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.447 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.68 -38.85 61.24 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.269 -177.513 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 71.2 mt-10 -59.14 -46.05 89.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.962 1.705 . . . . 0.0 110.845 176.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.03 -36.35 70.35 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.561 1.073 . . . . 0.0 109.504 170.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.635 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -28.39 57.04 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 109.445 -172.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 51' ' ' PHE . 2.4 m -83.93 -19.27 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.634 1.173 . . . . 0.0 110.734 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.4 t -73.16 -55.79 5.99 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 111.782 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -42.96 -53.03 4.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.941 1.296 . . . . 0.0 110.972 177.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.75 -22.85 66.04 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -53.64 50.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 120.288 1.404 . . . . 0.0 110.813 168.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.45 -38.7 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 122.019 -0.426 . . . . 0.0 110.418 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -61.42 -27.61 68.67 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.127 1.371 . . . . 0.0 111.003 174.221 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.37 -22.67 63.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.15 1.341 . . . . 0.0 111.378 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -56.84 -63.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.856 1.662 . . . . 0.0 110.695 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.2 ptp -61.75 -30.54 70.85 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.825 -0.547 . . . . 0.0 110.922 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -8.76 51.54 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.853 -1.07 . . . . 0.0 112.555 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.57 26.64 1.74 Allowed Glycine 0 CA--C 1.529 0.934 0 CA-C-N 120.267 1.394 . . . . 0.0 114.328 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.56 155.57 24.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 118.908 1.354 . . . . 0.0 109.719 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.04 -30.48 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 123.75 0.82 . . . . 0.0 110.18 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.87 -106.24 0.06 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . 0.298 7.3 tp 46.94 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.084 1 C-N-CA 132.331 4.252 . . . . 0.0 112.818 -171.324 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -119.64 -81.05 0.63 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -61.89 -53.59 53.63 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 119.976 1.262 . . . . 0.0 112.842 -172.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.54 1.06 1.86 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.419 -2.05 . . . . 0.0 113.814 173.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.15 -21.45 11.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.217 1.807 . . . . 0.0 111.008 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -20.39 65.43 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 120.302 1.41 . . . . 0.0 109.777 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.42 -9.72 50.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 111.576 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 -11.92 8.58 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 126.446 1.899 . . . . 0.0 113.558 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 mt -98.73 -61.55 1.36 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -50.04 75.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.79 5.27 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.085 1.354 . . . . 0.0 114.328 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -72.41 -53.51 12.04 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 119.625 -1.922 . . . . 0.0 108.898 165.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.12 8.03 0.92 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.312 1.045 . . . . 0.0 113.253 -161.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.265 68.9 p 53.87 19.43 1.94 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.149 1.78 . . . . 0.0 113.468 -162.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.39 -71.69 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.619 1.168 . . . . 0.0 109.513 -172.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.805 0 C-N-CA 131.13 3.772 . . . . 0.0 114.292 -172.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.35 56.06 7.99 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.206 1.402 . . . . 0.0 110.172 174.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -54.32 -72.01 0.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.462 1.505 . . . . 0.0 110.022 174.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.16 133.26 27.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.94 0.896 . . . . 0.0 109.046 171.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.84 15.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 127.866 2.466 . . . . 0.0 107.428 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt 71.74 -70.93 0.14 Allowed 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 128.526 2.73 . . . . 0.0 108.423 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -76.67 4.71 8.89 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -167.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 p -41.41 -55.67 2.72 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 127.148 2.179 . . . . 0.0 112.022 -172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -118.82 39.03 3.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.173 0.989 . . . . 0.0 111.421 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.31 -39.08 3.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.925 162.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.268 3.3 m -47.75 -59.41 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.215 1.37 . . . . 0.0 112.562 -173.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -68.51 -33.24 73.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.251 -0.906 . . . . 0.0 112.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.94 -16.25 63.98 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.828 -0.606 . . . . 0.0 112.286 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -102.52 1.72 35.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.374 1.87 . . . . 0.0 112.124 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -110.6 -78.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.728 1.211 . . . . 0.0 109.093 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -63.85 1.07 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 119.597 1.089 . . . . 0.0 109.605 -165.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -12.72 15.23 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -174.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.99 -40.53 6.54 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 125.595 1.558 . . . . 0.0 108.114 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -139.19 -37.58 0.51 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.904 1.682 . . . . 0.0 113.664 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -27.93 39.61 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -159.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.12 134.49 36.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 104.092 -2.559 . . . . 0.0 104.092 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.77 -151.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 120.382 1.447 . . . . 0.0 109.722 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -32.06 70.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.003 -1.061 . . . . 0.0 111.585 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 m 47.08 -161.37 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.999 2.12 . . . . 0.0 113.175 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -79.62 161.39 25.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 164.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -60.44 -18.09 48.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.795 -0.622 . . . . 0.0 112.61 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -40.26 -51.2 2.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.052 1.741 . . . . 0.0 112.655 166.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.521 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.67 -46.23 90.63 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.596 1.188 . . . . 0.0 109.602 -179.413 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.42 65.48 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.497 1.119 . . . . 0.0 112.666 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.37 61.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.295 0.952 . . . . 0.0 112.05 174.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -106.46 -28.67 10.18 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.937 0.895 . . . . 0.0 110.964 170.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -20.74 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 121.326 -0.859 . . . . 0.0 111.535 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -14.0 60.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.367 1.867 . . . . 0.0 114.619 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -120.83 -23.0 6.05 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.191 2.596 . . . . 0.0 108.473 -165.389 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -49.38 -31.04 8.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.011 -2.306 . . . . 0.0 112.378 171.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -60.46 -34.49 74.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.095 1.758 . . . . 0.0 111.536 177.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -39.9 94.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.049 1.34 . . . . 0.0 109.082 168.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -73.85 -20.67 17.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 O-C-N 119.122 -2.236 . . . . 0.0 111.156 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD21 ' SD ' ' A' ' 54' ' ' MET . 8.3 mt -61.45 -22.44 65.05 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.873 -1.767 . . . . 0.0 114.136 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -120.77 48.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 171.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 -39.11 48.33 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.11 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -156.35 -72.35 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.2 156.36 48.8 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 128.847 2.859 . . . . 0.0 106.147 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.9 m -50.3 -34.4 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.808 1.243 . . . . 0.0 112.387 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -67.9 -78.55 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.637 1.575 . . . . 0.0 109.877 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -57.33 -25.36 59.23 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.6 1.16 . . . . 0.0 111.661 -171.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.646 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -36.17 52.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.551 0.34 . . . . 0.0 110.956 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.41 -54.66 42.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.522 0.729 . . . . 0.0 110.816 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -61.09 -32.25 71.91 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.505 ' SD ' HD21 ' A' ' 42' ' ' LEU . 2.0 ttt -53.42 -36.96 62.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.467 1.507 . . . . 0.0 113.849 168.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.01 -23.41 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.11 0.964 . . . . 0.0 109.4 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 p -63.37 -61.22 2.49 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.069 0.947 . . . . 0.0 112.021 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -57.02 2.77 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 126.759 2.024 . . . . 0.0 110.876 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -68.18 -23.91 64.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 m -69.11 -42.73 75.7 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.766 0.712 . . . . 0.0 111.593 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.11 -34.02 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 122.074 -0.391 . . . . 0.0 111.325 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.54 -30.33 70.58 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 119.657 -1.902 . . . . 0.0 110.375 172.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -26.83 63.69 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.67 -0.644 . . . . 0.0 110.674 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 t -51.67 -59.51 4.2 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.091 1.356 . . . . 0.0 109.515 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.48 -31.17 66.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.766 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -58.46 -28.07 64.98 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.168 0.587 . . . . 0.0 110.193 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.71 0.2 0.14 Allowed Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.473 1.511 . . . . 0.0 113.919 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.15 87.09 4.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 119.29 1.545 . . . . 0.0 110.72 -161.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.7 m -46.36 -45.14 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.73 1.612 . . . . 0.0 112.629 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.7 m-20 -133.01 118.75 19.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 167.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -150.31 12.73 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.856 0.863 . . . . 0.0 112.863 160.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.02 -60.75 1.85 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 119.858 1.208 . . . . 0.0 108.084 164.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -54.98 -71.05 0.09 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.917 -170.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 69' ' ' ASP . 1.1 pt? -61.6 -1.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 120.216 -1.552 . . . . 0.0 115.008 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.96 -13.29 17.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.926 -1.988 . . . . 0.0 109.366 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -32.1 6.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.758 2.023 . . . . 0.0 111.767 -169.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.12 -4.54 0.52 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 128.634 2.774 . . . . 0.0 114.595 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.52 -5.96 9.77 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.266 1.826 . . . . 0.0 111.468 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.12 -65.81 0.96 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.127 1.371 . . . . 0.0 109.592 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.54 -36.35 75.97 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.872 1.269 . . . . 0.0 109.471 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.97 -16.33 57.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.161 -0.962 . . . . 0.0 113.173 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -70.9 -39.81 72.56 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 122.82 0.448 . . . . 0.0 111.888 -167.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.82 6.12 0.06 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 125.986 2.054 . . . . 0.0 110.854 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.274 18.1 p 59.75 18.72 7.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.826 1.193 . . . . 0.0 113.142 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.41 -24.24 0.73 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.081 1.352 . . . . 0.0 113.51 -168.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.88 -1.533 . . . . 0.0 109.701 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 119.327 -0.368 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ttp -63.38 -22.6 66.98 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.329 -164.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p 64.5 -4.54 0.42 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.775 2.83 . . . . 0.0 116.269 169.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 t0 95.71 133.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 1 C-N-CA 132.094 4.158 . . . . 0.0 108.56 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 t -145.88 24.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 128.29 2.636 . . . . 0.0 107.707 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt 65.97 166.29 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.921 2.489 . . . . 0.0 108.626 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.2 m 56.68 6.23 0.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -60.58 -33.42 72.68 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.481 1.491 . . . . 0.0 111.002 -163.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -128.04 39.6 3.82 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.757 1.623 . . . . 0.0 109.453 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.19 -51.25 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 153.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.283 1.4 m -57.23 -54.3 32.28 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 CA-C-N 118.162 0.437 . . . . 0.0 110.847 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' CG ' ' A' ' 38' ' ' HIS . 14.7 tp -71.18 -22.05 62.08 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.7 -1.25 . . . . 0.0 111.793 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 7.0 mp -74.41 -11.81 60.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.24 1.416 . . . . 0.0 113.559 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -110.55 -29.94 7.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.869 1.668 . . . . 0.0 110.173 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.96 -27.79 2.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.342 -0.848 . . . . 0.0 113.185 -161.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 19' ' ' LEU . 2.4 tm? -114.39 -63.28 1.48 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -54.06 -27.81 34.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.535 -1.222 . . . . 0.0 111.736 -174.624 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -23.38 -54.77 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 130.319 3.448 . . . . 0.0 114.44 -162.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.629 ' C ' HD22 ' A' ' 22' ' ' LEU 0.291 0.0 OUTLIER -132.03 -23.37 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.589 1.555 . . . . 0.0 112.042 176.349 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -61.08 -46.65 89.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 118.477 0.58 . . . . 0.0 111.129 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.565 HG11 ' CG ' ' A' ' 31' ' ' TRP . 46.0 t -102.43 122.89 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.07 138.83 52.38 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.848 -0.533 . . . . 0.0 109.765 165.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.01 167.88 14.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.938 1.295 . . . . 0.0 110.515 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m 56.88 63.68 1.86 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 109.659 -160.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 p -141.61 153.09 44.56 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -120.22 -24.91 5.82 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.661 1.184 . . . . 0.0 111.69 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 64' ' ' MET . 48.3 tp -59.44 -48.77 80.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.657 1.117 . . . . 0.0 109.23 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CG ' HG11 ' A' ' 24' ' ' VAL . 1.8 t90 -57.15 -50.38 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.745 0.818 . . . . 0.0 111.567 171.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.3 78.53 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.317 1.447 . . . . 0.0 111.353 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -59.65 -6.89 1.29 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.669 1.587 . . . . 0.0 113.511 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.03 -18.98 9.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.086 1.354 . . . . 0.0 112.607 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -34.81 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.498 167.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -53.07 -49.19 66.87 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.612 1.096 . . . . 0.0 110.56 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -40.07 92.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.139 0.976 . . . . 0.0 110.82 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.78 -34.49 62.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.462 1.028 . . . . 0.0 111.787 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -23.27 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.2 1.0 . . . . 0.0 111.973 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -54.89 7.29 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 118.813 0.733 . . . . 0.0 110.418 165.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.484 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 30.7 mm -54.86 -17.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 116.638 -1.649 . . . . 0.0 112.251 -168.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -37.14 32.76 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 121.39 1.905 . . . . 0.0 112.773 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.34 64.47 0.63 Allowed 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 171.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.15 -59.62 2.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -132.94 -71.08 0.53 Allowed 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.611 0.764 . . . . 0.0 110.092 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -136.43 157.08 47.65 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.124 2.57 . . . . 0.0 104.732 172.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 m -51.43 -26.99 9.01 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 117.319 -1.324 . . . . 0.0 113.454 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.0 m -72.28 -72.75 0.22 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.536 1.516 . . . . 0.0 109.403 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.21 -32.94 25.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.914 1.686 . . . . 0.0 113.03 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.17 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 128.673 2.789 . . . . 0.0 111.246 171.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -33.83 31.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.237 0.615 . . . . 0.0 111.199 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.12 -60.84 2.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.025 0.93 . . . . 0.0 109.965 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -59.66 -30.94 69.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 110.863 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.601 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.04 -24.77 67.57 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.814 1.246 . . . . 0.0 110.909 -175.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.26 -37.05 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.978 1.311 . . . . 0.0 108.275 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -48.63 80.9 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.492 1.117 . . . . 0.0 111.787 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -45.37 -54.65 6.97 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.448 1.099 . . . . 0.0 111.115 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.12 -32.36 73.73 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.475 -1.726 . . . . 0.0 111.822 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -34.22 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 121.129 1.786 . . . . 0.0 113.205 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.16 -41.04 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 109.622 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -61.98 -27.49 68.9 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.031 1.333 . . . . 0.0 110.481 175.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -26.92 62.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.841 0.857 . . . . 0.0 110.005 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -62.56 -55.74 24.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 117.883 -1.056 . . . . 0.0 111.196 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 30' ' ' LEU . 7.8 ptp -65.77 -28.55 69.11 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.839 0.745 . . . . 0.0 112.066 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' OE1' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -62.29 -36.82 83.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 175.561 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.63 50.95 0.04 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.289 1.423 . . . . 0.0 113.931 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.17 90.01 2.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.534 1.167 . . . . 0.0 112.99 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.84 -37.25 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.554 1.142 . . . . 0.0 112.181 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.75 120.92 12.2 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.69 36.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 126.853 2.061 . . . . 0.0 106.708 160.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -117.72 -68.19 0.94 Allowed 'General case' 0 C--O 1.223 -0.338 0 O-C-N 120.776 -1.202 . . . . 0.0 108.772 170.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -60.55 3.62 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.146 1.339 . . . . 0.0 112.876 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -0.37 2.58 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.505 -1.372 . . . . 0.0 114.331 172.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.29 -12.03 18.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 116.148 -1.882 . . . . 0.0 111.282 173.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -25.89 6.81 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.557 1.981 . . . . 0.0 112.739 -168.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 45.9 mt-10 -57.81 -16.28 11.01 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.604 1.162 . . . . 0.0 113.973 173.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.75 16.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.512 1.505 . . . . 0.0 110.752 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -68.59 0.86 Allowed 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.306 1.443 . . . . 0.0 109.705 -172.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.07 -63.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 66.5 t30 -72.64 3.88 4.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.239 1.415 . . . . 0.0 112.868 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 32.5 tpt85 -62.15 -51.16 68.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.815 -1.178 . . . . 0.0 109.717 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.76 5.1 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.338 1.649 . . . . 0.0 112.027 -163.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.3 p 58.42 17.7 5.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.482 1.913 . . . . 0.0 113.079 -165.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.28 -24.39 0.87 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -161.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 3.7 ttm 65.81 -47.27 0.4 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.883 2.073 . . . . 0.0 111.928 -175.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.252 54.4 p 56.93 -159.32 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.584 1.954 . . . . 0.0 111.17 -171.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.08 110.61 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 126.494 1.918 . . . . 0.0 110.435 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.2 17.41 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 127.451 2.3 . . . . 0.0 109.684 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 74.95 -71.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.613 2.365 . . . . 0.0 110.437 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.91 1.15 18.43 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -30.49 -78.26 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.97 2.908 . . . . 0.0 113.446 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -100.19 38.72 1.44 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.894 -1.128 . . . . 0.0 110.295 178.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -33.13 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.18 0.992 . . . . 0.0 110.166 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.13 -50.51 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 119.108 0.867 . . . . 0.0 111.426 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 15' ' ' LEU . 6.2 tt -60.42 -41.55 94.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 109.814 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -64.21 -14.97 58.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -104.82 1.1 28.76 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.511 1.524 . . . . 0.0 112.908 172.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -109.44 -68.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 126.626 1.97 . . . . 0.0 110.113 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.83 -66.56 0.91 Allowed 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -157.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -27.41 6.71 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.58 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -37.77 -47.52 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 126.326 1.851 . . . . 0.0 110.948 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.38 -44.49 1.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.77 0.428 . . . . 0.0 111.657 166.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 -58.01 -35.99 72.05 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -167.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -137.62 57.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 120.94 15.86 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -160.27 -174.13 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.43 1.892 . . . . 0.0 108.136 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 p -86.77 165.94 15.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.449 0.7 . . . . 0.0 109.685 154.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -76.57 90.84 3.34 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.153 -0.967 . . . . 0.0 111.668 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -120.51 -101.35 0.42 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.952 0.501 . . . . 0.0 110.8 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -46.82 56.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.577 1.551 . . . . 0.0 110.118 -174.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -61.08 -30.49 70.38 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.51 -0.744 . . . . 0.0 111.29 -177.03 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . . . -57.92 -29.44 65.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.76 1.224 . . . . 0.0 109.968 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -60.53 -20.85 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.464 1.484 . . . . 0.0 111.967 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -106.72 -22.79 12.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.369 -0.832 . . . . 0.0 111.315 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -59.65 -43.01 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-O 117.922 -1.037 . . . . 0.0 108.59 168.22 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.14 -23.8 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.911 1.687 . . . . 0.0 114.787 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.68 -28.36 19.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.097 1.759 . . . . 0.0 110.605 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 1.7 p-80 -55.85 -40.01 72.26 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.185 1.357 . . . . 0.0 110.386 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -8.18 43.2 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -46.88 11.23 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 119.72 1.146 . . . . 0.0 110.222 161.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mm -56.69 -22.82 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.767 1.627 . . . . 0.0 111.619 -169.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.04 -35.27 64.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.845 1.657 . . . . 0.0 111.633 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 1.1 mm? -107.65 50.24 0.78 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 120.3 1.409 . . . . 0.0 109.438 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.3 -40.29 37.26 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.906 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -159.36 -65.73 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.908 0.776 . . . . 0.0 110.78 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.6 163.13 32.85 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 129.689 3.196 . . . . 0.0 104.603 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -59.22 -33.66 71.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.436 1.471 . . . . 0.0 111.051 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -65.93 -76.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.831 2.452 . . . . 0.0 111.142 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.07 -23.13 44.53 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.381 1.072 . . . . 0.0 112.937 -171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.24 -85.0 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.647 1.979 . . . . 0.0 110.787 168.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.1 19.4 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.528 0.731 . . . . 0.0 111.971 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -54.78 -49.73 70.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.123 0.969 . . . . 0.0 111.152 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -67.9 -26.61 66.08 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 117.458 -1.258 . . . . 0.0 111.002 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.74 83.49 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.859 1.663 . . . . 0.0 111.201 173.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 -38.04 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 118.156 -0.926 . . . . 0.0 108.554 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -81.34 -21.27 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -168.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.6 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.077 -1.639 . . . . 0.0 109.672 158.253 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 31' ' ' TRP . 1.1 mp -72.42 -25.6 61.54 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.995 -166.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 p -60.43 -52.52 64.89 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.55 1.068 . . . . 0.0 111.752 169.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.76 -29.8 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -68.19 -27.49 66.44 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -21.38 60.1 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.228 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 p -57.42 -65.74 0.58 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.83 1.195 . . . . 0.0 110.218 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -65.44 -23.93 67.05 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.676 1.59 . . . . 0.0 111.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.22 75.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.347 1.927 . . . . 0.0 113.474 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.97 80.73 1.99 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.324 1.562 . . . . 0.0 110.224 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.45 -24.19 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 130.394 3.478 . . . . 0.0 116.617 -165.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.74 3.24 2.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.315 1.046 . . . . 0.0 111.432 -170.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.48 -21.66 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 O-C-N 120.229 -1.544 . . . . 0.0 111.459 -162.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -45.3 -54.7 6.78 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 118.256 0.48 . . . . 0.0 111.451 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -47.88 37.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.355 0.662 . . . . 0.0 111.276 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.37 -8.39 25.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.606 1.162 . . . . 0.0 112.913 -173.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.97 -32.43 8.75 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-O 115.423 -2.227 . . . . 0.0 108.005 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -32.85 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 122.877 2.581 . . . . 0.0 109.982 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.31 1.01 38.98 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.665 -1.272 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.25 -0.1 10.52 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 129.811 3.245 . . . . 0.0 109.859 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mt -128.68 -77.66 0.56 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.18 -40.16 95.1 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.209 -0.932 . . . . 0.0 108.868 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.27 -9.35 59.16 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -57.69 -52.53 65.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.822 1.249 . . . . 0.0 108.523 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.65 15.29 0.37 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 118.27 -0.872 . . . . 0.0 112.458 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.255 8.3 p 51.23 53.71 12.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.143 0.883 . . . . 0.0 110.762 -172.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 tp -162.39 -36.61 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.032 1.733 . . . . 0.0 112.945 165.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.564 0.746 . . . . 0.0 111.267 -177.841 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 5' ' ' MET . 3.3 ptmm? . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -130.8 79.04 1.88 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 100.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.202 1.801 . . . . 0.0 108.798 162.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.41 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 128.002 2.521 . . . . 0.0 112.716 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.87 22.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 126.16 1.784 . . . . 0.0 108.483 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt 71.82 -74.52 0.09 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.426 2.69 . . . . 0.0 108.865 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 34.5 m -74.55 70.23 1.77 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.639 -0.663 . . . . 0.0 109.949 161.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 p -69.33 -79.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.448 1.099 . . . . 0.0 109.284 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.61 39.18 4.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.246 1.418 . . . . 0.0 109.837 -167.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 14.5 m -119.31 -48.85 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 110.178 -166.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 t -54.74 -62.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.092 0 C-N-CA 125.876 1.67 . . . . 0.0 110.012 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 58' ' ' LEU . 12.2 tp -65.16 -23.96 67.26 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.427 -0.796 . . . . 0.0 111.093 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.64 -11.33 60.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.623 1.969 . . . . 0.0 113.104 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -120.6 0.87 10.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.4 1.48 . . . . 0.0 112.861 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.68 -61.65 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 119.888 1.222 . . . . 0.0 111.407 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.61 -72.25 0.45 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.553 -1.276 . . . . 0.0 107.553 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.5 18.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -44.49 -41.19 6.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 127.714 2.405 . . . . 0.0 112.325 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.68 -10.24 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.654 1.182 . . . . 0.0 113.141 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.54 -46.99 7.04 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.0 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 31' ' ' TRP 0.267 79.6 t -98.77 -103.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 106.546 -1.649 . . . . 0.0 106.546 -173.222 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.283 2.2 pt-20 70.33 152.22 0.1 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 130.018 3.327 . . . . 0.0 112.153 -164.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 t 143.06 -115.75 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 131.25 3.82 . . . . 0.0 105.755 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -149.39 45.27 0.96 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.956 0.902 . . . . 0.0 110.461 -158.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m 42.85 64.62 1.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.347 1.459 . . . . 0.0 111.701 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -80.37 -100.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.966 0.906 . . . . 0.0 108.829 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -108.3 -27.84 9.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 123.424 0.69 . . . . 0.0 109.767 -173.169 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.526 ' CG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.41 -36.28 9.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.172 0.989 . . . . 0.0 111.485 175.377 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.56 65.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.295 1.838 . . . . 0.0 112.227 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.11 -34.63 72.24 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.871 1.268 . . . . 0.0 111.14 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.1 -24.09 21.21 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.917 -0.489 . . . . 0.0 111.844 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -39.21 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 119.338 0.972 . . . . 0.0 110.249 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -68.13 -14.55 63.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.2 1.0 . . . . 0.0 112.666 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -35.6 20.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 121.461 -0.775 . . . . 0.0 110.969 168.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -56.45 -40.26 74.53 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.166 1.348 . . . . 0.0 111.483 -176.626 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -10.48 59.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.183 0.993 . . . . 0.0 113.09 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.3 -54.89 3.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -48.37 -12.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 128.695 2.798 . . . . 0.0 115.686 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -51.47 -27.79 11.42 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 121.857 2.117 . . . . 0.0 115.331 173.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' LEU . 25.2 mt -115.7 33.42 5.49 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.181 1.355 . . . . 0.0 111.422 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -84.35 128.18 34.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? 63.7 -81.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.44 1.096 . . . . 0.0 111.869 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -156.85 157.49 35.02 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 128.569 2.748 . . . . 0.0 106.581 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 m -53.4 -29.5 35.25 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.12 0.873 . . . . 0.0 113.138 -171.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -69.4 -75.06 0.12 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -19.36 63.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -50.52 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.21 2.604 . . . . 0.0 112.525 163.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -38.11 72.67 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -174.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 96.4 mt-10 -58.55 -42.18 87.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.535 1.934 . . . . 0.0 110.537 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.49 75.34 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 119.89 -1.756 . . . . 0.0 109.555 169.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.589 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -73.78 -24.21 59.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.709 1.203 . . . . 0.0 109.588 -169.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -89.76 -20.72 6.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 125.357 1.463 . . . . 0.0 110.967 171.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -77.76 -47.2 19.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.852 1.261 . . . . 0.0 111.907 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.8 -54.78 9.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.868 1.213 . . . . 0.0 111.239 169.622 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 31' ' ' TRP . 2.3 mp -73.55 0.48 12.45 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -56.17 5.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.228 0.922 . . . . 0.0 111.332 157.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -48.29 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.71 1.204 . . . . 0.0 109.877 -166.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.66 -23.43 63.07 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.903 2.081 . . . . 0.0 112.418 -175.336 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 58' ' ' LEU . 1.5 mm? -60.85 -22.16 63.96 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.051 -1.03 . . . . 0.0 112.047 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 p -41.7 -67.11 0.28 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.695 1.998 . . . . 0.0 111.462 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.0 ptm -75.28 -25.36 57.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 127.152 2.181 . . . . 0.0 112.352 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' CD ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -63.72 -25.76 68.34 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.018 0.527 . . . . 0.0 110.286 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.62 22.02 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 CA-C-O 117.504 -1.72 . . . . 0.0 113.322 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.41 95.77 4.58 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 120.798 2.299 . . . . 0.0 110.969 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.54 -30.4 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 118.335 0.516 . . . . 0.0 111.56 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.53 79.18 1.84 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -168.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -141.37 -28.89 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 118.129 -0.939 . . . . 0.0 111.273 152.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -63.32 1.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 120.062 1.301 . . . . 0.0 110.385 -168.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.57 77.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.697 0.76 . . . . 0.0 111.126 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 73' ' ' LEU . 6.1 mp -57.34 -30.48 64.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.124 1.369 . . . . 0.0 109.642 -173.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.96 -28.73 15.62 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.481 -1.247 . . . . 0.0 108.888 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 1.9 mt-10 -49.3 -39.8 32.41 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.563 1.074 . . . . 0.0 109.664 174.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.33 -23.6 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -46.02 12.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 116.886 -1.53 . . . . 0.0 110.076 169.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 2.2 pp -84.9 -40.25 17.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 120.018 1.281 . . . . 0.0 113.718 -162.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -53.14 61.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.4 -3.54 31.08 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.484 -1.385 . . . . 0.0 113.598 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.1 -54.29 22.77 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.9 18.67 0.59 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.889 1.276 . . . . 0.0 111.514 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.295 76.7 p 56.85 16.44 2.74 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.474 1.91 . . . . 0.0 114.305 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.73 -28.85 0.09 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.308 1.043 . . . . 0.0 111.775 -167.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.381 1.872 . . . . 0.0 112.38 175.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.379 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.318 0.0 OUTLIER 72.29 104.05 0.07 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.133 0.968 . . . . 0.0 109.113 -169.153 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -72.41 -59.57 2.66 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.552 1.541 . . . . 0.0 109.06 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -148.7 104.87 3.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.374 1.47 . . . . 0.0 108.878 -157.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -144.06 101.25 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.946 1.698 . . . . 0.0 107.22 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -78.59 -11.01 59.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.704 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -138.3 95.34 2.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.013 2.125 . . . . 0.0 106.482 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -93.24 -91.6 0.18 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -87.52 38.96 0.85 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 120.46 -1.4 . . . . 0.0 111.205 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 14' ' ' VAL 0.252 35.9 m -120.66 -72.8 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.571 ' H ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -23.78 -63.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 129.82 3.248 . . . . 0.0 114.221 171.148 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 38' ' ' HIS . 24.5 tp -76.41 -26.61 55.71 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.33 -0.856 . . . . 0.0 112.958 -171.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.14 -48.07 83.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 166.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 m -66.96 -6.11 15.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.9 -29.01 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 119.906 1.23 . . . . 0.0 113.108 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -108.21 -77.53 0.6 Allowed 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 121.006 -1.059 . . . . 0.0 109.316 -173.094 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' H ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -48.26 -25.05 1.37 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.739 174.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -28.92 -47.34 0.05 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 128.544 2.738 . . . . 0.0 110.503 170.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.455 0.0 OUTLIER -142.66 -10.86 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 117.195 2.295 . . . . 0.0 117.195 160.762 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.03 -34.68 20.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.37 1.441 . . . . 0.0 112.897 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' H ' ' HA ' ' A' ' 20' ' ' GLN . 7.5 p -142.76 52.27 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 124.404 1.065 . . . . 0.0 112.195 -167.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -82.91 177.55 8.58 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.265 -1.522 . . . . 0.0 114.78 -172.12 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 1.8 t 51.37 73.31 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 129.1 2.96 . . . . 0.0 110.951 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -159.53 155.87 27.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -159.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -168.49 17.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.326 1.451 . . . . 0.0 113.365 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 -100.74 0.43 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.516 1.507 . . . . 0.0 112.448 -165.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 -46.38 77.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.44 1.473 . . . . 0.0 110.976 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.494 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -60.31 -40.49 90.73 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.86 81.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.648 1.579 . . . . 0.0 111.323 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -12.42 4.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.923 1.689 . . . . 0.0 112.516 172.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 t -110.68 -23.44 11.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.943 1.297 . . . . 0.0 112.858 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -39.91 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 170.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -51.79 -46.16 64.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.603 1.092 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -29.21 64.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.608 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.53 -31.73 56.82 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.799 1.181 . . . . 0.0 111.463 176.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 122.288 1.042 . . . . 0.0 110.395 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -64.74 -43.51 93.13 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.333 1.053 . . . . 0.0 110.363 174.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 22.8 mm -60.7 -20.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-O 116.176 -1.869 . . . . 0.0 111.564 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -32.86 59.88 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 122.189 2.268 . . . . 0.0 112.573 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.278 2.3 mp -105.03 42.02 1.27 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.912 1.233 . . . . 0.0 110.265 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.46 93.7 8.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.253 11.6 tmtt? 71.15 -70.6 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.061 1.745 . . . . 0.0 110.67 -174.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.78 163.18 38.67 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.125 1.37 . . . . 0.0 108.646 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -49.15 -36.43 19.26 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.376 1.87 . . . . 0.0 113.029 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.0 m -74.18 -70.72 0.37 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.894 1.277 . . . . 0.0 110.315 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.26 -25.14 65.46 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 111.494 -171.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -55.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 127.305 2.242 . . . . 0.0 111.714 165.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -34.45 55.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.505 0.322 . . . . 0.0 111.412 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 2.9 mm-40 -52.36 -61.65 2.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.473 1.509 . . . . 0.0 109.488 171.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.51 -28.2 69.14 Favored 'General case' 0 C--N 1.333 -0.133 0 O-C-N 120.869 -1.145 . . . . 0.0 111.844 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.643 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.99 -22.85 64.06 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.629 1.104 . . . . 0.0 110.471 -174.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -82.0 -37.48 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.717 1.607 . . . . 0.0 107.717 170.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -60.21 -45.35 93.48 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -50.01 -50.43 47.37 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.447 172.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mt -70.16 -18.2 63.2 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.344 -175.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -56.15 19.23 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.856 1.207 . . . . 0.0 110.28 167.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.26 -29.0 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-O 122.24 1.019 . . . . 0.0 110.962 -170.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.37 -31.28 70.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.213 -1.554 . . . . 0.0 110.643 173.004 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -63.42 -28.98 70.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 120.45 1.477 . . . . 0.0 108.478 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -58.96 -55.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 22.2 ptp -68.32 -28.73 67.41 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 123.138 0.575 . . . . 0.0 112.212 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -34.85 78.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.09 49.45 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-O 118.533 -1.148 . . . . 0.0 112.358 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.33 90.84 2.34 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.649 1.725 . . . . 0.0 112.039 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.2 -32.23 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.331 -0.856 . . . . 0.0 112.848 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -134.63 90.66 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 127.777 2.431 . . . . 0.0 105.701 -171.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 62' ' ' LEU . 6.0 tp -155.67 17.36 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 121.625 -0.672 . . . . 0.0 112.065 167.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -92.59 -72.77 0.58 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -72.97 -33.5 65.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -163.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.07 -1.69 49.38 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.507 1.123 . . . . 0.0 110.248 172.405 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 t -97.85 -41.43 8.04 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 116.37 -1.776 . . . . 0.0 106.413 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -26.54 -40.93 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 130.775 3.63 . . . . 0.0 115.903 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.36 -16.39 2.2 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.137 -1.602 . . . . 0.0 115.2 170.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -6.62 22.33 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.087 1.755 . . . . 0.0 111.365 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -124.14 -69.62 0.8 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 107.915 -173.518 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.09 -48.68 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.946 1.298 . . . . 0.0 108.559 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -5.32 44.1 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.983 -1.073 . . . . 0.0 112.437 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -60.91 -50.55 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 119.893 -1.754 . . . . 0.0 108.574 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.04 5.1 0.28 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 124.286 0.991 . . . . 0.0 112.848 -175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.2 p 44.56 43.58 6.56 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.602 1.092 . . . . 0.0 111.501 -155.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -50.92 0.53 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 116.844 -1.551 . . . . 0.0 111.674 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.87 0 C-N-CA 125.748 1.619 . . . . 0.0 110.064 175.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HE2' ' CB ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 tpt -22.86 83.79 0.0 OUTLIER 'General case' 0 C--O 1.235 0.341 1 C-N-CA 131.806 4.043 . . . . 0.0 111.615 -169.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -90.1 -83.55 0.25 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -122.95 104.27 9.14 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.556 1.942 . . . . 0.0 106.834 -166.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 5.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 112.161 -2.29 . . . . 0.0 108.382 -165.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 71.62 -36.07 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 129.717 3.207 . . . . 0.0 111.356 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 9.0 p -81.14 -96.68 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 123.828 0.851 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.371 0.5 OUTLIER 45.13 -91.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.564 2.346 . . . . 0.0 111.115 -170.129 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.428 ' H ' ' CG2' ' A' ' 11' ' ' THR . 3.1 p -82.35 49.85 1.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.924 1.689 . . . . 0.0 112.098 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 10' ' ' CYS . 19.2 m -120.18 -52.59 3.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 161.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 m -48.5 -62.29 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 124.265 1.026 . . . . 0.0 111.911 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.31 -25.83 64.43 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.448 -1.408 . . . . 0.0 111.877 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.48 -2.91 34.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.81 2.044 . . . . 0.0 112.946 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -120.63 -5.59 9.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.554 1.942 . . . . 0.0 110.523 174.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -120.98 -35.44 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.38 -67.84 0.84 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.451 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -51.86 -34.05 39.16 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -34.54 -48.1 0.35 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.31 2.244 . . . . 0.0 111.818 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.13 -32.18 0.96 Allowed 'General case' 0 C--N 1.34 0.193 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -81.99 -55.11 4.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.839 1.2 . . . . 0.0 110.176 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.499 ' HB ' HD13 ' A' ' 62' ' ' LEU . 2.9 p -107.29 55.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 125.496 1.519 . . . . 0.0 107.275 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.2 67.22 3.97 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.256 -174.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.6 157.09 44.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.874 1.67 . . . . 0.0 109.757 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 p -86.1 8.72 19.69 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.94 2.896 . . . . 0.0 113.649 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -71.79 178.15 3.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.376 1.071 . . . . 0.0 112.775 -160.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.16 -26.86 13.2 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.824 -1.173 . . . . 0.0 111.51 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.8 -49.26 77.21 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.593 1.088 . . . . 0.0 110.187 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.485 ' NE1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.01 -38.74 82.97 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.543 -0.723 . . . . 0.0 111.134 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.29 75.71 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.728 1.211 . . . . 0.0 110.602 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -13.79 5.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.585 1.954 . . . . 0.0 113.3 173.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.93 -27.47 11.68 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 120.207 1.367 . . . . 0.0 111.768 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.95 -34.47 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.082 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.87 -42.42 65.24 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.052 0.842 . . . . 0.0 111.916 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -41.19 79.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.87 -1.144 . . . . 0.0 110.42 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -34.48 57.78 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.82 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.87 -44.59 91.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.861 0.755 . . . . 0.0 109.681 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.51 74.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.917 1.287 . . . . 0.0 109.626 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.9 -16.42 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 O-C-N 119.608 -1.932 . . . . 0.0 111.986 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -26.14 60.47 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.988 2.177 . . . . 0.0 113.633 174.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -116.99 46.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.576 0.703 . . . . 0.0 110.117 174.185 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.44 24.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.338 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -141.91 -71.56 0.34 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.41 156.05 49.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.148 2.179 . . . . 0.0 106.121 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -51.55 -31.41 24.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.678 2.391 . . . . 0.0 112.998 -173.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m -68.45 -80.29 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.696 1.998 . . . . 0.0 109.314 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -28.33 37.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.437 1.495 . . . . 0.0 112.699 -171.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.64 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.878 2.071 . . . . 0.0 110.668 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -36.64 55.43 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.353 0.661 . . . . 0.0 111.204 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -52.92 -61.43 2.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.891 0.876 . . . . 0.0 109.769 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -62.23 -29.14 70.18 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 120.697 -1.252 . . . . 0.0 110.724 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.81 70.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.236 1.414 . . . . 0.0 109.015 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 t -76.69 -44.74 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.622 1.569 . . . . 0.0 109.055 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.9 p -53.66 -50.69 65.23 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.742 0.701 . . . . 0.0 112.493 -168.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -51.33 8.82 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.901 1.281 . . . . 0.0 111.577 173.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' NE1' ' A' ' 31' ' ' TRP . 1.2 mp -71.48 -21.94 61.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.546 -170.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 81.5 p -64.2 -52.11 60.48 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 119.145 0.884 . . . . 0.0 110.745 173.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.75 -40.54 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.54 -29.8 69.37 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.094 1.358 . . . . 0.0 111.617 175.378 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HB ' ' A' ' 24' ' ' VAL . 22.0 tp -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 120.476 1.489 . . . . 0.0 109.879 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 m -55.82 -65.82 0.53 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.418 1.008 . . . . 0.0 110.469 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.5 ptp -63.35 -26.15 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.678 0.791 . . . . 0.0 112.798 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -26.31 64.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.604 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.23 26.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.763 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.847 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.96 112.7 19.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 120.976 2.388 . . . . 0.0 111.468 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.71 -35.0 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.52 170.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -152.62 86.55 1.27 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.8 tp -129.21 -36.23 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 117.123 -1.417 . . . . 0.0 110.392 157.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -42.54 -68.16 0.21 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.334 1.454 . . . . 0.0 110.963 -169.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.28 -38.05 86.88 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.672 -0.642 . . . . 0.0 112.645 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.5 mp -68.01 -7.56 30.08 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.331 1.852 . . . . 0.0 111.334 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.97 -38.68 5.27 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.44 -30.11 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 121.437 1.926 . . . . 0.0 112.75 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.86 -30.62 65.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.233 -1.542 . . . . 0.0 111.083 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 ttt -83.35 1.38 41.56 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 127.241 2.216 . . . . 0.0 112.049 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -125.21 -52.81 1.63 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.788 1.235 . . . . 0.0 111.032 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -71.91 -74.24 0.16 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -69.2 8.47 0.57 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.091 -1.631 . . . . 0.0 114.18 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 tpt85 -56.41 -57.89 10.37 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.691 1.596 . . . . 0.0 111.143 158.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.49 17.43 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.966 2.107 . . . . 0.0 111.608 -161.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.28 2.2 p 54.69 45.98 25.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.706 2.802 . . . . 0.0 113.219 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.39 -36.77 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.977 0.911 . . . . 0.0 110.487 -163.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.585 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.519 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 2.1 tpt -141.81 80.61 1.73 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 103.667 -2.716 . . . . 0.0 103.667 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -68.05 -80.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.107 1.363 . . . . 0.0 110.532 -174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -147.93 145.72 28.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -145.85 11.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 C-N-CA 129.234 3.014 . . . . 0.0 106.177 -158.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 73.32 -26.35 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 130.614 3.566 . . . . 0.0 112.294 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.6 m -135.65 52.3 2.01 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.683 1.593 . . . . 0.0 109.963 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.1 p -77.94 -86.16 0.06 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.067 -1.021 . . . . 0.0 109.417 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 38.08 0.68 Allowed 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.861 -1.149 . . . . 0.0 110.377 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 m -106.57 -23.79 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.922 1.289 . . . . 0.0 108.07 169.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -69.18 -75.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.075 2.15 . . . . 0.0 108.345 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 58' ' ' LEU . 25.6 tp -62.66 -29.17 70.44 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.253 -0.904 . . . . 0.0 112.599 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 mt -69.9 -17.52 63.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.329 0.651 . . . . 0.0 112.746 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -93.98 -4.7 49.18 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.966 0.907 . . . . 0.0 112.049 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.99 -67.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 119.874 1.215 . . . . 0.0 110.549 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -70.5 0.29 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -171.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.69 -22.9 48.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 125.045 1.338 . . . . 0.0 113.556 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -44.59 -33.27 1.72 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.816 2.046 . . . . 0.0 111.807 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -148.3 -28.04 0.32 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 162.755 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -74.29 -37.89 63.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.85 0.75 . . . . 0.0 112.129 -164.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.6 60.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.382 1.473 . . . . 0.0 108.03 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.47 158.44 4.37 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 112.253 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CH2' ' A' ' 31' ' ' TRP . 79.1 p -58.9 4.28 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.502 3.121 . . . . 0.0 118.489 -151.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 t -85.1 -2.0 57.5 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -150.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -156.13 133.6 10.88 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 122.729 2.513 . . . . 0.0 113.261 -169.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.57 -36.66 81.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.865 2.066 . . . . 0.0 114.827 -167.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.21 73.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.564 1.075 . . . . 0.0 110.773 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.513 ' HE1' HD21 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.73 -44.08 90.37 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.494 -0.754 . . . . 0.0 109.597 177.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -29.65 70.66 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.686 1.594 . . . . 0.0 112.571 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.38 -13.89 59.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.003 0.921 . . . . 0.0 111.349 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -27.96 12.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 125.419 1.488 . . . . 0.0 112.323 167.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.17 -39.85 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.05 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.81 -43.92 66.27 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 120.288 1.404 . . . . 0.0 111.805 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.68 91.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.755 1.222 . . . . 0.0 110.745 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -34.0 37.61 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.849 1.204 . . . . 0.0 112.864 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.86 -28.42 69.54 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.539 1.638 . . . . 0.0 110.978 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.585 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -88.58 -34.97 17.14 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.855 -1.153 . . . . 0.0 110.687 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.03 -17.91 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 125.438 1.495 . . . . 0.0 112.453 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -19.71 9.04 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 122.091 2.223 . . . . 0.0 113.171 170.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.47 HD12 ' HE2' ' A' ' 4' ' ' LYS . 62.4 mt -118.77 43.44 2.54 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.747 2.419 . . . . 0.0 111.279 173.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -80.12 -15.69 56.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.53 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -167.73 -65.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 171.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -156.16 168.94 25.7 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 128.722 2.809 . . . . 0.0 107.11 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -48.75 -47.5 41.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.147 1.779 . . . . 0.0 113.787 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 m -64.59 -68.04 0.39 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.097 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.6 -40.73 13.4 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.834 1.654 . . . . 0.0 112.112 -174.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -57.95 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 128.391 2.676 . . . . 0.0 110.67 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -27.41 64.49 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.404 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -57.52 -51.79 68.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 119.96 -1.712 . . . . 0.0 110.248 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -77.01 -22.39 53.17 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.808 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 ttm -51.98 -45.94 64.67 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.141 1.776 . . . . 0.0 111.356 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.42 -36.33 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.0 m -63.17 -54.79 32.2 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 117.223 -1.37 . . . . 0.0 112.095 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -61.12 1.06 Allowed 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 124.598 1.159 . . . . 0.0 110.286 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -66.36 -21.99 66.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.777 -1.106 . . . . 0.0 113.285 -171.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.8 m -70.57 -48.31 55.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.216 0.917 . . . . 0.0 111.299 170.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -67.57 -44.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 121.276 -0.89 . . . . 0.0 108.995 -177.35 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -57.97 -27.19 63.22 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.435 2.294 . . . . 0.0 110.934 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.06 -22.69 64.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.526 1.057 . . . . 0.0 109.662 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -56.36 -56.59 19.2 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.661 1.184 . . . . 0.0 110.503 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.4 ptm -73.3 -25.4 60.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.919 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -24.57 64.77 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.659 0.6 . . . . 0.0 109.602 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 31.11 0.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.806 1.193 . . . . 0.0 114.399 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.28 54.7 1.44 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 119.117 1.458 . . . . 0.0 109.372 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -56.11 -18.85 6.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.176 -0.953 . . . . 0.0 113.1 -167.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.95 86.94 2.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.53 1.532 . . . . 0.0 108.037 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.1 tp -145.02 19.83 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.303 1.441 . . . . 0.0 111.673 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -120.06 -47.31 2.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 O-C-N 121.131 -0.981 . . . . 0.0 109.876 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -72.53 -64.8 0.88 Allowed 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.725 0.81 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -68.1 0.49 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 173.222 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.49 -6.75 20.34 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 116.006 -1.949 . . . . 0.0 109.629 171.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -26.69 34.89 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 122.252 2.296 . . . . 0.0 111.503 -171.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.96 -12.12 3.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.982 1.713 . . . . 0.0 112.986 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.3 mtp -121.5 -4.46 9.32 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 111.023 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -67.28 0.94 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.828 2.051 . . . . 0.0 108.815 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -57.72 11.67 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 108.218 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -65.72 -5.89 9.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.969 1.308 . . . . 0.0 113.389 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -68.82 -41.69 78.24 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.529 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -159.21 13.95 0.15 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 167.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p 54.29 46.31 25.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.192 1.797 . . . . 0.0 112.997 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.68 -36.07 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.408 HE22 ' HB3' ' A' ' 82' ' ' ALA . 16.2 mp0 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.6 2.36 . . . . 0.0 112.642 -167.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 119.043 -0.503 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.59 87.23 1.92 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -66.04 -62.25 1.59 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -167.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -143.04 109.49 5.37 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 103.282 -2.859 . . . . 0.0 103.282 -166.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.01 5.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 124.096 0.959 . . . . 0.0 108.585 -155.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp 78.18 -31.7 0.16 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.306 2.642 . . . . 0.0 109.808 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 13' ' ' VAL . 81.1 m -69.39 -107.05 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.323 -1.322 . . . . 0.0 109.884 144.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.276 98.7 m 56.47 -105.24 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.011 -164.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.36 60.94 5.94 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.887 2.13 . . . . 0.0 110.347 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 10' ' ' CYS 0.29 3.6 m -120.6 -75.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 118.386 -0.816 . . . . 0.0 108.954 160.455 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 1.0 OUTLIER -53.59 -53.15 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 119.473 1.033 . . . . 0.0 111.863 -163.501 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD21 HD22 ' A' ' 58' ' ' LEU . 5.4 tt -60.85 -41.66 96.28 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 1.4 mp -64.97 -13.62 57.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.78 0.832 . . . . 0.0 113.092 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -105.82 0.7 26.26 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.964 1.706 . . . . 0.0 111.715 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -115.41 -65.51 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 110.093 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.76 -65.31 1.03 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -165.322 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.33 -25.02 5.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.741 172.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.641 ' O ' HD22 ' A' ' 22' ' ' LEU . 13.9 tm0? -32.42 -56.41 0.34 Allowed 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 128.986 2.914 . . . . 0.0 108.749 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -138.02 -5.85 1.66 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 125.318 1.636 . . . . 0.0 114.307 171.19 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -45.62 13.53 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 120.594 1.543 . . . . 0.0 110.257 -172.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -139.86 63.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 126.948 2.099 . . . . 0.0 106.233 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -31.54 45.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.53 1.132 . . . . 0.0 111.089 -177.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 p 153.8 163.47 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 130.142 3.377 . . . . 0.0 110.033 144.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m -125.9 -59.56 1.34 Allowed 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 164.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -147.47 -177.42 5.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.305 1.05 . . . . 0.0 112.846 -169.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.32 -10.81 0.98 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.126 164.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.09 -63.78 1.1 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.672 1.578 . . . . 0.0 109.896 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -42.01 63.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.769 0.795 . . . . 0.0 110.193 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.23 70.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.939 0.896 . . . . 0.0 111.914 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.73 -12.2 15.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.68 0.792 . . . . 0.0 112.217 172.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -26.83 8.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.17 1.388 . . . . 0.0 110.942 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.56 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.646 169.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 2.2 pt20 -63.7 -72.91 0.13 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 121.258 1.844 . . . . 0.0 110.666 167.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -53.7 -26.87 24.88 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 127.866 2.466 . . . . 0.0 113.236 -167.06 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -49.57 -33.98 16.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.943 0.792 . . . . 0.0 112.806 173.096 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -68.84 -31.67 70.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.069 1.347 . . . . 0.0 111.482 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.43 -52.77 23.69 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mm -49.54 -24.24 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 127.832 2.453 . . . . 0.0 114.887 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.424 ' H ' HD22 ' A' ' 42' ' ' LEU . 1.4 mm? -60.89 -19.15 59.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 123.371 2.805 . . . . 0.0 113.01 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 43' ' ' LEU . 1.2 mp -118.13 42.93 2.57 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 119.488 1.04 . . . . 0.0 109.775 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.13 -62.54 1.36 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.802 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -128.93 -61.03 1.07 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.132 0.573 . . . . 0.0 110.906 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -153.08 166.88 31.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.3 m -50.5 -38.34 43.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.117 1.367 . . . . 0.0 112.291 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -73.44 -69.72 0.41 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.609 0.641 . . . . 0.0 109.802 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -61.73 -24.7 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.757 0.789 . . . . 0.0 112.259 -163.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.5 -75.34 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.092 2.557 . . . . 0.0 111.741 166.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -40.39 54.35 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.158 0.583 . . . . 0.0 109.797 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.0 -50.49 68.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.099 0.559 . . . . 0.0 109.892 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -68.1 -26.02 65.61 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.651 -0.656 . . . . 0.0 112.091 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -36.15 68.19 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.906 0.775 . . . . 0.0 111.144 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HD23 ' A' ' 19' ' ' LEU . 3.3 t -70.2 -43.36 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.481 173.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -40.92 89.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.162 1.347 . . . . 0.0 114.037 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -55.52 8.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 118.166 0.439 . . . . 0.0 109.887 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD22 HD21 ' A' ' 15' ' ' LEU . 1.7 mp -69.54 -31.18 69.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.754 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -54.48 -55.34 29.97 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.172 0.897 . . . . 0.0 110.183 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.42 -25.1 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 122.928 0.491 . . . . 0.0 110.513 -171.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -71.9 -32.23 67.19 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.951 1.7 . . . . 0.0 111.487 176.071 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -30.38 60.34 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.522 1.51 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 t -52.42 -63.51 1.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.829 1.652 . . . . 0.0 109.754 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.4 ptm -68.82 -25.25 64.58 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.01 0.524 . . . . 0.0 111.54 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -9.38 42.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.764 0.826 . . . . 0.0 111.173 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.45 36.27 1.95 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 124.337 0.97 . . . . 0.0 111.969 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.56 157.23 17.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.374 1.087 . . . . 0.0 108.465 164.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.55 -50.79 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 159.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.23 42.21 1.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.295 1.438 . . . . 0.0 110.242 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.34 -54.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 CA-C-O 116.166 -1.873 . . . . 0.0 107.516 161.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -38.11 -68.0 0.17 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.184 1.811 . . . . 0.0 113.39 -165.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -78.22 -27.41 47.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.235 0.925 . . . . 0.0 113.294 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -66.9 -10.3 47.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.078 0.551 . . . . 0.0 110.154 171.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.429 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.9 t -111.86 -32.19 6.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.7 -35.26 30.25 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 120.554 1.525 . . . . 0.0 111.001 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.75 -54.03 32.62 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 123.321 1.534 . . . . 0.0 109.475 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.15 2.65 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 128.14 2.576 . . . . 0.0 115.508 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 74' ' ' CYS . 2.9 pp -140.67 -53.1 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.056 1.298 . . . . 0.0 111.025 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.13 -30.72 66.85 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.265 -1.522 . . . . 0.0 111.118 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -93.38 1.34 56.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 119.477 -2.014 . . . . 0.0 111.925 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -61.92 2.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 161.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.95 15.4 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.31 -158.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.308 25.2 p 54.74 26.32 7.46 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 -27.27 0.97 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.229 1.412 . . . . 0.0 114.387 -169.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 116.357 -1.782 . . . . 0.0 113.134 -158.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.19 49.29 20.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.178 1.391 . . . . 0.0 111.541 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -63.55 -65.38 0.69 Allowed 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 124.87 1.268 . . . . 0.0 111.792 -165.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -146.3 104.91 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.492 1.917 . . . . 0.0 107.681 -162.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 9.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.727 -155.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp 72.82 -27.05 0.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.176 2.591 . . . . 0.0 113.287 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' HA ' HG22 ' A' ' 13' ' ' VAL . 64.7 m -129.49 1.24 5.03 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.751 1.62 . . . . 0.0 112.218 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -48.35 -55.24 11.24 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 125.816 1.647 . . . . 0.0 109.255 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -105.52 37.68 2.16 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.531 0.732 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.2 m -119.66 -40.75 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 120.712 -1.243 . . . . 0.0 111.285 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.294 23.0 m -57.58 -51.39 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 119.327 0.967 . . . . 0.0 112.38 -167.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.35 -30.14 60.16 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.696 -1.252 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.4 -8.02 7.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.984 0.914 . . . . 0.0 112.613 168.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -120.75 1.03 10.49 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.985 1.314 . . . . 0.0 111.977 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.67 -24.67 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -70.72 0.78 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 118.666 0.666 . . . . 0.0 109.785 -172.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -21.43 3.84 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 172.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -44.69 -34.4 2.21 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.448 1.499 . . . . 0.0 110.906 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.72 -61.38 0.54 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.853 1.661 . . . . 0.0 111.056 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.29 66.36 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -160.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.252 7.7 p -136.81 48.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 124.019 0.928 . . . . 0.0 110.65 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -12.18 61.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.31 0.644 . . . . 0.0 110.425 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 87.26 0.3 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 166.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.3 m -60.27 153.51 22.24 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.503 -0.748 . . . . 0.0 110.162 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 t -162.03 -169.91 2.35 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.592 2.757 . . . . 0.0 104.794 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -92.47 -11.5 34.51 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.792 -1.099 . . . . 0.0 112.109 155.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD11 ' SD ' ' A' ' 64' ' ' MET . 20.9 tp -62.46 -67.54 0.41 Allowed 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.556 1.071 . . . . 0.0 110.695 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -37.28 63.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.397 -0.814 . . . . 0.0 110.788 175.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.77 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.636 0.774 . . . . 0.0 110.757 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.54 -21.46 65.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.5 1.52 . . . . 0.0 112.967 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.7 -45.25 14.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 119.678 1.126 . . . . 0.0 110.874 158.633 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -52.96 -38.56 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.925 -166.764 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.15 -14.7 0.46 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.38 -29.39 10.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.198 2.199 . . . . 0.0 110.388 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -53.14 -37.3 61.7 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 122.519 2.418 . . . . 0.0 113.074 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -63.15 -27.24 69.24 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.673 1.589 . . . . 0.0 110.795 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.0 t0 -79.86 -44.7 20.01 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.448 1.099 . . . . 0.0 110.488 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 14.0 mm -57.53 -15.27 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 128.298 2.639 . . . . 0.0 112.041 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -22.55 60.01 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 122.437 2.38 . . . . 0.0 113.059 174.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.75 53.96 1.24 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.927 1.691 . . . . 0.0 107.777 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -68.27 -47.61 67.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.33 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 -68.74 0.25 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.944 1.298 . . . . 0.0 107.986 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -133.15 158.29 43.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.788 2.035 . . . . 0.0 107.571 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -53.85 -34.49 59.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.715 1.143 . . . . 0.0 113.403 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.0 m -77.77 -68.51 0.62 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.616 0.766 . . . . 0.0 109.129 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.81 -14.37 21.29 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.481 1.113 . . . . 0.0 112.719 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -63.76 -75.8 0.08 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.245 2.618 . . . . 0.0 113.047 162.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -34.83 70.29 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.058 -0.401 . . . . 0.0 110.156 -173.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -53.01 -50.73 63.62 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.267 1.027 . . . . 0.0 109.724 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.52 -36.85 83.88 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.009 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.56 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.3 ttt -52.74 -17.6 1.42 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.468 2.707 . . . . 0.0 112.523 170.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.64 -24.77 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 O-C-N 119.874 -1.766 . . . . 0.0 108.135 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -59.97 4.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 126.13 1.772 . . . . 0.0 114.317 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -47.7 -53.59 14.61 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 126.055 1.742 . . . . 0.0 112.06 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' H ' HD12 ' A' ' 57' ' ' LEU 0.287 3.7 mp -58.01 -36.57 72.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 117.058 -1.857 . . . . 0.0 112.224 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -1.15 4.7 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 p -120.22 -31.01 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 122.257 2.299 . . . . 0.0 111.831 169.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -56.9 -34.88 68.36 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.741 -1.225 . . . . 0.0 108.855 164.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.85 -15.72 13.9 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.213 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 65.5 m -55.76 -12.28 1.25 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.104 1.362 . . . . 0.0 114.347 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 30' ' ' LEU . 2.3 ptt? -120.11 -33.42 3.94 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.603 1.561 . . . . 0.0 113.368 171.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -56.63 -42.18 78.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.936 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.8 68.2 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -150.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 63' ' ' SER . . . -108.76 -138.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.736 1.614 . . . . 0.0 109.866 166.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.402 0.9 OUTLIER 57.66 -30.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 1 C-N-CA 131.977 4.111 . . . . 0.0 113.046 -162.094 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -120.62 66.2 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 128.5 2.72 . . . . 0.0 106.356 167.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tp -140.82 6.6 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 165.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -81.18 -71.1 0.49 Allowed 'General case' 0 C--O 1.222 -0.354 0 O-C-N 120.46 -1.4 . . . . 0.0 108.494 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.5 -53.02 25.94 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.933 . . . . 0.0 112.768 -165.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -66.23 1.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.978 174.256 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.0 t -116.38 -17.33 10.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 120.39 1.45 . . . . 0.0 112.524 168.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -28.72 65.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 121.649 2.022 . . . . 0.0 110.053 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.8 -4.47 37.89 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 mtt -121.13 -0.56 9.94 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.142 3.377 . . . . 0.0 112.904 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.19 -71.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 -174.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -48.86 79.02 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.292 1.037 . . . . 0.0 108.389 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.05 -0.6 19.5 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.258 1.423 . . . . 0.0 113.848 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -71.48 -46.29 60.25 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.653 -1.279 . . . . 0.0 109.77 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.525 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -164.98 21.94 0.05 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.889 1.675 . . . . 0.0 111.26 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.6 p 49.55 53.75 12.17 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.246 1.418 . . . . 0.0 112.837 -172.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tp -154.51 -32.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.525 HE22 ' HB3' ' A' ' 82' ' ' ALA . 26.7 mp0 . . . . . 0 C--O 1.247 0.941 0 C-N-CA 129.547 3.139 . . . . 0.0 110.805 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -138.19 95.02 2.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 107.367 -161.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.253 1.5 p -66.18 64.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.482 3.513 . . . . 0.0 113.81 -173.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 80.46 130.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 1 C-N-CA 132.183 4.193 . . . . 0.0 110.122 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.15 101.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 124.172 1.939 . . . . 0.0 106.657 -175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -76.65 15.67 0.6 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.175 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.7 m -134.73 -82.12 0.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.774 1.63 . . . . 0.0 109.97 -168.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.267 54.3 m 64.49 -103.59 0.11 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.864 -1.065 . . . . 0.0 109.53 174.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -89.32 38.2 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.506 1.957 . . . . 0.0 111.733 -173.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 m -108.89 -53.11 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.089 -1.007 . . . . 0.0 110.505 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.17 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 125.348 1.459 . . . . 0.0 110.458 -169.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.1 tt -63.57 -36.32 83.42 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.864 -0.523 . . . . 0.0 109.888 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 20' ' ' GLN . 4.0 mp -64.76 -17.89 64.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.241 1.016 . . . . 0.0 111.078 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -100.97 0.61 38.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.86 2.064 . . . . 0.0 112.794 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -116.66 -73.42 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 124.929 1.292 . . . . 0.0 110.242 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -90.66 -64.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -161.002 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.24 -25.6 34.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.394 173.206 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -35.83 -41.61 0.23 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.166 2.586 . . . . 0.0 112.013 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -34.36 0.93 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.336 1.054 . . . . 0.0 112.48 173.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -77.97 0.09 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 119.427 1.012 . . . . 0.0 109.122 -171.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.84 54.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.614 1.165 . . . . 0.0 109.435 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.09 -24.31 53.11 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -173.67 162.48 4.11 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 127.688 2.395 . . . . 0.0 107.99 152.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -175.54 121.45 0.19 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 156.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 19.9 t 54.23 -163.46 0.11 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.237 1.415 . . . . 0.0 111.595 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -85.21 -2.01 57.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 117.887 -1.054 . . . . 0.0 111.297 151.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -46.01 -68.31 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.775 1.63 . . . . 0.0 110.033 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.441 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.839 0.828 . . . . 0.0 110.415 -177.499 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.23 -28.13 69.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.655 1.582 . . . . 0.0 111.954 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -32.42 70.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.399 1.079 . . . . 0.0 111.436 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.05 -32.06 20.18 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.503 1.047 . . . . 0.0 110.521 168.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.27 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-O 117.216 -1.373 . . . . 0.0 111.957 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.97 -70.77 0.25 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.026 1.739 . . . . 0.0 109.558 165.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -28.21 13.67 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 127.438 2.295 . . . . 0.0 113.613 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -52.32 -25.02 8.53 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 121.338 1.881 . . . . 0.0 112.81 170.537 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.1 t30 -65.62 -43.62 88.97 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.082 1.353 . . . . 0.0 110.349 172.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.63 -11.49 60.87 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 119.95 -1.719 . . . . 0.0 111.116 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.75 -15.04 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 119.912 -1.743 . . . . 0.0 111.567 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -55.42 -33.37 63.49 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 122.446 2.384 . . . . 0.0 111.308 -178.788 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -113.23 56.43 0.69 Allowed 'General case' 0 C--N 1.342 0.245 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.24 -36.24 24.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.52 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.59 -69.57 0.11 Allowed 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.326 1.05 . . . . 0.0 108.576 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -146.88 166.5 26.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 125.98 1.712 . . . . 0.0 107.605 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -60.11 -29.28 68.5 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.462 -0.78 . . . . 0.0 113.017 -168.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.8 m -78.33 -67.79 0.7 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.73 -30.8 23.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.073 1.749 . . . . 0.0 115.082 -172.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -56.31 -86.21 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.311 1.844 . . . . 0.0 110.108 168.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -34.85 13.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.641 0.776 . . . . 0.0 111.482 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.15 -56.74 17.86 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.392 1.077 . . . . 0.0 111.155 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -61.14 -26.07 67.43 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.756 1.162 . . . . 0.0 110.644 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.454 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.86 -27.41 67.51 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -174.478 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t -85.26 -38.8 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 125.269 1.428 . . . . 0.0 107.924 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -29.87 61.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.978 -166.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.8 -56.95 6.26 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 164.787 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD21 ' A' ' 15' ' ' LEU . 2.4 mp -61.44 -29.48 69.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.731 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -35.96 76.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.398 1.454 . . . . 0.0 113.012 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.9 -38.4 14.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.884 0.473 . . . . 0.0 110.136 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -62.35 -31.15 71.75 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.939 1.695 . . . . 0.0 110.663 174.479 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.5 -29.12 23.41 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.182 0.993 . . . . 0.0 111.09 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -66.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.12 1.368 . . . . 0.0 109.643 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.4 ' HG3' HD21 ' A' ' 30' ' ' LEU . 17.4 ptm -65.45 -27.83 68.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.26 0.553 . . . . 0.0 111.423 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.27 51.84 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.726 1.21 . . . . 0.0 110.293 173.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.51 17.23 0.98 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.639 1.59 . . . . 0.0 113.223 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 157.49 15.92 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 119.306 1.553 . . . . 0.0 110.268 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.84 -59.51 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.038 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -133.39 74.7 1.57 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.414 -2.81 . . . . 0.0 103.414 -168.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 tp -145.55 6.64 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.257 0.623 . . . . 0.0 112.001 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.29 -77.12 0.24 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 159.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -58.26 -60.03 4.4 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.887 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -62.76 -13.87 38.06 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.006 0.923 . . . . 0.0 112.742 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.26 -34.63 20.34 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.665 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 15.3 mt-10 -52.48 -29.32 24.25 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.17 1.788 . . . . 0.0 109.878 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.76 -1.53 28.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.689 2.395 . . . . 0.0 113.145 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 mtt -120.98 -54.5 2.02 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 127.221 2.208 . . . . 0.0 109.671 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' ' 75' ' ' GLU . 2.0 pp -66.76 -50.71 61.85 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 125.257 1.423 . . . . 0.0 108.944 -168.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.39 -47.55 85.28 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -70.73 3.53 3.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.748 -1.845 . . . . 0.0 115.562 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -45.46 27.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.739 -1.851 . . . . 0.0 109.786 174.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.49 4.34 0.43 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 124.117 0.886 . . . . 0.0 113.369 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 p 61.31 7.89 1.89 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.549 2.34 . . . . 0.0 114.193 -163.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.92 -24.2 2.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.759 1.224 . . . . 0.0 113.117 -158.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 126.022 1.729 . . . . 0.0 110.427 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.8 46.86 15.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.936 2.095 . . . . 0.0 108.595 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -66.24 -51.47 57.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.014 0.926 . . . . 0.0 110.702 -167.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.18 112.8 3.86 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 127.206 2.203 . . . . 0.0 105.799 -168.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.81 10.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 126.194 1.798 . . . . 0.0 107.685 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt 72.59 -42.45 0.53 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 130.257 3.423 . . . . 0.0 110.91 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.45 17.87 18.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.177 1.791 . . . . 0.0 112.586 -171.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -46.62 -65.65 0.52 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 125.366 1.466 . . . . 0.0 113.362 -169.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -89.22 35.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.389 1.476 . . . . 0.0 111.155 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.3 -41.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.847 2.059 . . . . 0.0 109.088 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.0 -7.64 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -174.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -120.58 -27.14 5.18 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.172 1.389 . . . . 0.0 113.247 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -37.36 82.28 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 108.969 167.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.56 1.98 39.42 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.382 -0.824 . . . . 0.0 112.125 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.2 t -122.01 -28.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -71.13 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.571 1.532 . . . . 0.0 110.82 -168.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -53.17 -17.11 1.45 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.819 1.248 . . . . 0.0 113.978 167.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.57 -24.96 15.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.284 1.433 . . . . 0.0 111.472 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.97 -71.78 0.42 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.953 1.701 . . . . 0.0 107.073 156.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -42.21 -76.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.456 1.902 . . . . 0.0 114.647 -161.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.8 74.04 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 122.909 1.338 . . . . 0.0 107.679 -172.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -51.49 156.51 1.26 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.932 2.493 . . . . 0.0 110.385 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.66 136.63 13.12 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -163.29 -177.92 5.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.179 2.192 . . . . 0.0 106.773 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.5 p -158.48 28.89 0.24 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.431 1.093 . . . . 0.0 111.762 166.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 5.8 tppt? -103.82 -101.07 0.3 Allowed 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.013 -1.054 . . . . 0.0 110.133 -174.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.05 -30.62 31.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.387 1.475 . . . . 0.0 109.484 -169.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -63.48 -44.23 94.98 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 120.8 -1.187 . . . . 0.0 109.558 175.38 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.95 -39.81 75.26 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.686 1.194 . . . . 0.0 109.347 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 0.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.559 1.944 . . . . 0.0 115.245 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -132.0 -24.24 2.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 122.278 2.308 . . . . 0.0 109.134 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 2.4 m -56.3 -40.09 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.466 165.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -8.36 0.54 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.918 2.087 . . . . 0.0 116.395 175.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.09 -26.54 10.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.896 1.278 . . . . 0.0 111.137 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -56.87 -35.88 69.42 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.699 1.59 . . . . 0.0 112.638 -173.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -59.11 -41.89 89.21 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.082 2.953 . . . . 0.0 109.926 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.27 -36.57 66.37 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.445 176.296 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.48 -22.2 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 116.946 -1.502 . . . . 0.0 112.148 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -17.42 29.98 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 123.219 2.736 . . . . 0.0 114.219 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -120.52 58.0 0.94 Allowed 'General case' 0 C--O 1.237 0.424 0 C-N-CA 127.853 2.461 . . . . 0.0 109.197 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.69 109.17 16.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.55 -68.38 0.19 Allowed 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 126.172 1.789 . . . . 0.0 110.172 -171.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -166.5 164.48 17.15 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.404 1.881 . . . . 0.0 108.403 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -57.56 -28.08 63.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.421 1.489 . . . . 0.0 113.734 -171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.7 m -70.96 -69.67 0.35 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.665 1.12 . . . . 0.0 109.303 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.37 -24.79 66.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.181 1.393 . . . . 0.0 111.8 -164.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.32 -86.56 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 129.147 2.979 . . . . 0.0 111.626 163.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -56.1 -32.59 64.31 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 111.208 -171.258 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.67 -56.23 16.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.2 1.4 . . . . 0.0 109.242 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.93 -30.07 68.45 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.453 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.4 ttt -49.82 -41.08 44.0 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.928 1.24 . . . . 0.0 112.403 173.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.18 -39.74 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.4 t -70.47 -47.03 62.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -44.01 -49.61 8.6 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.498 1.045 . . . . 0.0 109.991 173.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 35' ' ' VAL . 5.6 mt -67.8 -41.05 83.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.228 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -61.11 -31.0 70.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.535 1.061 . . . . 0.0 113.608 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.89 -37.43 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 119.281 0.946 . . . . 0.0 111.284 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -62.51 -29.35 70.49 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 126.274 1.83 . . . . 0.0 110.196 174.64 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.7 45.67 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 124.65 1.18 . . . . 0.0 109.829 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -54.24 -59.78 4.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.345 1.058 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.3 ptp -74.81 -21.32 59.36 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.814 1.245 . . . . 0.0 112.186 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -62.07 -40.86 97.25 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 172.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.35 68.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 128.042 2.734 . . . . 0.0 111.004 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.35 86.84 1.49 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 117.989 0.894 . . . . 0.0 112.001 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.97 -29.94 48.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.11 -0.994 . . . . 0.0 111.499 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -117.9 62.68 0.75 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.381 1.086 . . . . 0.0 109.108 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -144.85 15.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.199 165.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.11 -75.36 0.44 Allowed 'General case' 0 C--N 1.339 0.143 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -66.01 -58.52 5.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.893 0.769 . . . . 0.0 111.764 -173.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.78 -5.79 2.23 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -177.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -19.58 13.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.311 -1.328 . . . . 0.0 111.934 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.85 66.68 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 121.499 1.954 . . . . 0.0 109.968 174.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.99 -15.46 56.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.795 1.638 . . . . 0.0 110.455 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.1 ttm -107.81 -54.43 2.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.273 1.829 . . . . 0.0 109.502 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -51.77 14.32 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.905 1.23 . . . . 0.0 110.302 -170.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.12 -38.8 86.22 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.249 1.019 . . . . 0.0 109.319 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -18.36 62.34 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.036 -1.665 . . . . 0.0 112.572 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.23 73.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 120.781 -1.199 . . . . 0.0 109.196 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.31 3.57 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p 47.69 32.46 2.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.01 1.324 . . . . 0.0 113.107 -164.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -151.41 -59.25 0.17 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.256 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 130.243 3.417 . . . . 0.0 110.869 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.253 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.3 tpt -149.74 48.52 0.94 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -71.37 -38.81 71.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 120.365 -1.46 . . . . 0.0 111.978 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -160.13 104.41 1.49 Allowed 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.89 18.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 128.69 2.796 . . . . 0.0 106.546 -172.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 71.11 -31.06 0.22 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 129.726 3.21 . . . . 0.0 113.824 173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.48 60.62 1.66 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.938 1.295 . . . . 0.0 107.885 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.9 p -75.2 -92.81 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 p -94.04 35.16 1.18 Allowed 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.745 -1.222 . . . . 0.0 109.375 -171.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.67 -35.46 3.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 C-N-CA 124.538 1.135 . . . . 0.0 109.096 -175.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.255 35.2 m -61.79 -45.15 99.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 C-N-CA 123.201 0.601 . . . . 0.0 111.162 -167.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 58' ' ' LEU . 28.1 tp -74.42 -27.94 60.85 Favored 'General case' 0 N--CA 1.461 0.094 0 O-C-N 120.121 -1.612 . . . . 0.0 111.712 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.32 -15.43 63.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.569 0.748 . . . . 0.0 111.231 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -101.28 -0.26 36.05 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.975 1.71 . . . . 0.0 111.971 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.18 -69.55 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.94 0.896 . . . . 0.0 111.178 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -72.69 0.34 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -169.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -48.27 -33.55 8.92 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -41.74 -28.8 0.16 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 128.676 2.79 . . . . 0.0 113.192 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.06 -22.61 0.45 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.64 1.576 . . . . 0.0 113.427 161.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -77.55 -74.48 0.25 Allowed 'General case' 0 C--O 1.227 -0.089 0 O-C-N 120.849 -1.157 . . . . 0.0 110.639 -168.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.11 63.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 127.772 2.429 . . . . 0.0 107.568 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.51 120.84 6.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.518 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -51.88 75.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.485 3.114 . . . . 0.0 114.715 -158.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -137.28 53.96 1.86 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.05 2.14 . . . . 0.0 109.392 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -154.75 154.19 32.44 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.262 0.625 . . . . 0.0 110.122 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -34.02 13.73 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.432 0.693 . . . . 0.0 110.882 153.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -53.17 47.94 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 111.061 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.406 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.38 -38.94 91.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.463 0.649 . . . . 0.0 110.086 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.05 73.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.184 1.393 . . . . 0.0 111.72 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.1 0.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.637 1.975 . . . . 0.0 113.458 166.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -28.3 1.62 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 120.98 1.718 . . . . 0.0 106.945 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.33 -35.4 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.452 167.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -53.39 -41.26 65.75 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.209 . . . . 0.0 111.737 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -77.06 -39.5 49.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 128.687 2.795 . . . . 0.0 110.299 -179.395 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -36.17 55.0 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.294 0.952 . . . . 0.0 110.619 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -66.47 -23.11 66.22 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 123.738 0.815 . . . . 0.0 112.417 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -47.5 11.95 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.483 -0.761 . . . . 0.0 109.929 169.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.87 -28.56 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 116.769 -1.586 . . . . 0.0 111.477 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -37.91 10.01 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 116.124 -1.893 . . . . 0.0 113.385 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 54.1 mt -110.75 52.37 0.74 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 119.943 1.247 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.58 96.94 6.94 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.666 1.186 . . . . 0.0 109.694 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? 66.77 -58.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 128.352 2.661 . . . . 0.0 114.775 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.8 143.68 27.66 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 m -57.14 -20.49 26.31 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.83 0.741 . . . . 0.0 111.524 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -60.97 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.261 1.424 . . . . 0.0 110.396 162.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.29 -21.12 64.97 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.967 1.707 . . . . 0.0 112.765 -166.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 129.408 3.083 . . . . 0.0 110.918 163.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -58.76 -30.42 67.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -167.632 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -48.27 -55.64 10.04 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.425 1.49 . . . . 0.0 107.596 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -68.07 -28.69 67.59 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.8 ttt -61.51 -20.88 63.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.552 2.341 . . . . 0.0 111.806 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.1 t -100.42 -21.41 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 119.604 1.093 . . . . 0.0 109.254 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB2' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -53.61 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 127.465 2.306 . . . . 0.0 112.884 -178.009 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -33.85 -64.92 0.2 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.124 2.569 . . . . 0.0 110.425 170.59 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 15' ' ' LEU . 4.0 mp -63.21 -25.52 68.37 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.029 -1.462 . . . . 0.0 113.763 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 62' ' ' LEU . 50.3 m -63.67 -49.76 71.91 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.508 1.504 . . . . 0.0 110.926 174.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.3 p -75.96 -39.59 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.259 0.624 . . . . 0.0 110.632 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.38 -32.3 73.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.973 1.709 . . . . 0.0 109.68 179.256 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -67.23 -20.62 65.7 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 120.644 1.565 . . . . 0.0 110.613 179.222 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -58.94 -52.65 64.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.2 ptp -71.32 -23.94 62.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -68.79 -24.53 64.42 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.31 53.6 0.19 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 126.391 1.948 . . . . 0.0 110.909 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . -78.73 172.42 13.75 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.828 1.314 . . . . 0.0 109.91 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.514 HG23 ' H ' ' A' ' 69' ' ' ASP . 5.9 m -80.63 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 157.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -132.15 98.04 4.31 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -176.385 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.463 HG21 HD21 ' A' ' 62' ' ' LEU . 7.3 tp -149.47 1.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 126.596 1.959 . . . . 0.0 111.13 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -66.27 -80.05 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 159.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' HD3' ' H ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -58.28 -52.53 65.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.988 1.315 . . . . 0.0 113.494 -162.297 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -70.04 -13.47 62.24 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 111.078 -178.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.71 -27.44 20.08 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 117.007 -1.473 . . . . 0.0 109.25 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.12 -21.4 22.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.36 1.891 . . . . 0.0 112.916 173.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -77.99 -61.73 1.9 Allowed 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 164.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.9 ttm -48.96 -45.84 42.61 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 117.648 -1.167 . . . . 0.0 112.628 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.04 -60.7 2.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.562 2.345 . . . . 0.0 109.6 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.41 -34.2 70.5 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 122.795 1.284 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -20.41 44.5 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 119.488 -2.008 . . . . 0.0 112.274 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -48.34 63.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 120.336 -1.478 . . . . 0.0 107.904 178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 2.9 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 -165.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.291 25.5 p 49.36 25.93 1.45 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.13 0.967 . . . . 0.0 111.523 -163.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -145.89 -82.06 0.14 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 -172.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--O 1.248 1.011 0 C-N-CA 129.396 3.078 . . . . 0.0 110.288 -174.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 4' ' ' LYS 0.256 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 . . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.558 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 25.3 ttm -78.45 86.69 4.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.479 1.512 . . . . 0.0 108.405 -170.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -75.36 -61.07 2.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.993 0.902 . . . . 0.0 110.327 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -161.3 110.41 1.59 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.185 1.394 . . . . 0.0 107.321 -159.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.91 -1.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 125.022 1.329 . . . . 0.0 109.612 -171.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt 69.9 138.34 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 129.557 3.143 . . . . 0.0 109.026 -172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.0 m 43.46 55.82 4.66 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.478 0.711 . . . . 0.0 110.83 -169.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -66.24 -85.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.119 0.961 . . . . 0.0 110.545 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -89.92 36.64 0.86 Allowed 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.61 -1.306 . . . . 0.0 110.094 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.62 -25.83 2.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 O-C-N 120.814 -1.179 . . . . 0.0 110.359 -173.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.269 33.3 m -53.27 -41.98 45.42 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 118.045 0.384 . . . . 0.0 111.614 -177.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 38' ' ' HIS . 26.7 tp -72.26 -31.71 66.02 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.593 -1.317 . . . . 0.0 112.446 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.06 -9.88 58.79 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.63 1.572 . . . . 0.0 112.504 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -117.84 1.25 12.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.887 1.275 . . . . 0.0 111.635 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.02 -54.5 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 55' ' ' VAL . 1.2 mm? -86.75 -73.29 0.47 Allowed 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -28.45 36.05 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -172.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -51.59 -26.09 8.13 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.655 2.382 . . . . 0.0 111.45 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 -43.98 1.79 Allowed 'General case' 0 C--N 1.344 0.349 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 161.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -73.79 -25.09 59.96 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 121.313 1.869 . . . . 0.0 115.37 -164.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' A' ' 31' ' ' TRP . 58.4 t -123.6 -104.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.25 2.5 tt0 82.41 102.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.155 2.982 . . . . 0.0 110.871 175.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m 46.67 54.14 9.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.987 2.515 . . . . 0.0 112.62 169.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -91.91 -60.41 1.87 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.058 1.743 . . . . 0.0 110.99 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -161.69 157.22 24.11 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.563 1.545 . . . . 0.0 108.302 -175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -68.04 -8.28 36.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.143 166.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD23 HE21 ' A' ' 65' ' ' GLN . 44.2 tp -53.42 -48.31 68.84 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 120.787 1.63 . . . . 0.0 110.003 166.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -58.14 -51.5 69.45 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.39 64.32 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 125.979 1.712 . . . . 0.0 112.619 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.43 -16.76 6.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.003 1.721 . . . . 0.0 112.291 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -112.71 -17.28 12.61 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.895 1.278 . . . . 0.0 112.65 171.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 31' ' ' TRP . 46.5 t -64.24 -45.63 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.106 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.859 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.61 -56.09 3.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.313 1.415 . . . . 0.0 111.932 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.94 63.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.532 1.133 . . . . 0.0 112.2 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -56.96 -42.58 80.4 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.172 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.35 -44.54 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -76.94 -28.66 55.3 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.93 -173.121 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.48 -26.81 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 126.246 1.818 . . . . 0.0 110.731 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -30.68 67.66 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 122.374 2.352 . . . . 0.0 113.116 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.19 53.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.789 0.681 . . . . 0.0 109.592 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.81 -61.88 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -130.67 -73.02 0.55 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.496 1.119 . . . . 0.0 108.946 -171.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.93 157.73 45.79 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 129.603 3.161 . . . . 0.0 104.116 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.9 m -58.47 -18.9 32.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.737 1.215 . . . . 0.0 112.032 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -71.49 -84.47 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.686 1.194 . . . . 0.0 108.288 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.26 -15.47 62.53 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -164.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.156 1.783 . . . . 0.0 110.468 160.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.77 -35.11 65.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.889 0.476 . . . . 0.0 111.167 -171.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -48.31 -54.21 14.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.015 0.926 . . . . 0.0 109.804 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -69.23 -30.97 69.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.347 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.414 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.9 ttt -52.36 -33.74 44.38 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.896 1.225 . . . . 0.0 112.422 171.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 19' ' ' LEU . 73.0 t -75.78 -47.67 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.7 t -59.8 -44.74 93.82 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -170.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -49.7 38.01 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.26 0.624 . . . . 0.0 110.993 173.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 15' ' ' LEU . 1.1 mt -69.76 -31.33 69.23 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.328 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -63.52 -41.34 98.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.288 1.035 . . . . 0.0 112.169 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.36 -37.54 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 121.702 -0.624 . . . . 0.0 110.798 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -64.49 -29.82 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.349 -1.469 . . . . 0.0 110.263 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.73 -33.5 23.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 110.294 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -53.58 -66.14 0.44 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.77 1.228 . . . . 0.0 110.132 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.1 ptp -63.68 -26.82 68.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.749 1.22 . . . . 0.0 112.235 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.489 HE21 HD23 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.9 -13.33 59.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 122.969 0.508 . . . . 0.0 111.207 175.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.6 41.52 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 C-N-CA 126.252 1.882 . . . . 0.0 110.958 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.59 55.74 1.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 119.183 1.491 . . . . 0.0 109.973 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 p -53.66 -34.69 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.727 -0.608 . . . . 0.0 111.648 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -97.64 77.66 2.58 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' ILE . 6.1 tp -146.13 30.22 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.752 156.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -108.61 -72.44 0.72 Allowed 'General case' 0 N--CA 1.462 0.141 0 O-C-N 121.229 -0.919 . . . . 0.0 109.579 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.96 -51.82 62.57 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.931 -1.106 . . . . 0.0 112.99 -173.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -69.58 -0.18 6.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.518 1.127 . . . . 0.0 113.125 172.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 t -109.77 -11.08 14.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 115.563 -2.161 . . . . 0.0 110.608 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -29.46 7.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 121.361 1.891 . . . . 0.0 111.805 -171.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.32 -3.77 1.02 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.23 -1.27 10.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.087 1.355 . . . . 0.0 110.831 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 -65.71 1.03 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.026 1.331 . . . . 0.0 108.422 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.96 -47.46 65.57 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 125.267 1.427 . . . . 0.0 109.396 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -75.39 -12.59 60.29 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.09 -1.631 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.44 -51.72 58.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.922 0.889 . . . . 0.0 109.358 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.63 10.46 0.1 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.119 1.368 . . . . 0.0 111.197 -170.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.287 43.9 p 61.33 13.29 4.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.047 1.739 . . . . 0.0 114.326 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 -24.3 0.64 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.873 0.869 . . . . 0.0 113.232 -166.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.245 0.86 0 C-N-CA 127.973 2.509 . . . . 0.0 111.98 -161.011 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.54 0 CA-C-O 118.996 -0.525 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.38 70.2 1.43 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -76.9 104.67 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 120.638 -1.289 . . . . 0.0 107.678 171.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.378 0.5 OUTLIER 47.21 115.1 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.043 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 -173.098 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.72 26.57 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.524 1.93 . . . . 0.0 108.273 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 76.91 -60.07 0.47 Allowed 'General case' 0 C--N 1.343 0.3 0 C-N-CA 128.961 2.904 . . . . 0.0 110.324 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' HB2' HG23 ' A' ' 14' ' ' VAL . 25.3 p -80.53 -2.79 47.6 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.39 1.076 . . . . 0.0 113.531 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 12' ' ' SER . 10.2 t -24.94 -74.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.871 2.868 . . . . 0.0 112.671 -171.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.455 ' H ' HG23 ' A' ' 11' ' ' THR . 36.0 p -119.69 37.42 4.19 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.833 0.853 . . . . 0.0 110.265 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.0 m -94.53 -50.52 11.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 165.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 10' ' ' CYS . 24.8 t -51.71 -66.9 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 C-N-CA 126.256 1.823 . . . . 0.0 110.551 -175.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 tp -69.57 -28.51 66.04 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.919 -1.112 . . . . 0.0 110.95 -168.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.05 -7.0 46.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 -0.08 10.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.723 2.009 . . . . 0.0 111.82 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.74 -29.99 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 O-C-N 120.162 -1.586 . . . . 0.0 112.175 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.699 HD13 HH11 ' A' ' 23' ' ' ARG . 1.0 OUTLIER -108.0 -72.76 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.451 1.023 . . . . 0.0 108.685 -176.102 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -13.92 6.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -35.11 -38.39 0.09 Allowed 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 128.305 2.642 . . . . 0.0 112.318 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -26.4 0.9 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.658 0.783 . . . . 0.0 112.114 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.699 HH11 HD13 ' A' ' 19' ' ' LEU . 92.5 mtt180 -71.72 -44.96 63.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -155.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 25' ' ' GLU . 8.2 p -121.19 -175.15 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.631 1.573 . . . . 0.0 108.722 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.633 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER 95.63 111.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 1 C-N-CA 132.533 4.333 . . . . 0.0 109.693 -177.04 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -138.84 -76.03 0.37 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.29 1.036 . . . . 0.0 110.411 162.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -149.16 15.92 0.93 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.969 1.259 . . . . 0.0 112.939 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -108.85 153.28 23.74 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.874 1.215 . . . . 0.0 112.134 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -90.63 -8.76 49.21 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.656 1.183 . . . . 0.0 110.79 161.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -52.19 -49.29 64.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 120.747 1.612 . . . . 0.0 110.233 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.458 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -63.29 -45.25 92.26 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.999 0.52 . . . . 0.0 112.173 174.688 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.88 66.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.335 1.054 . . . . 0.0 111.06 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.06 -20.35 65.82 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 117.959 -1.02 . . . . 0.0 112.969 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -92.98 -27.15 17.2 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 120.163 1.347 . . . . 0.0 111.98 163.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.265 0.4 OUTLIER -60.22 -44.81 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 119.71 1.141 . . . . 0.0 109.297 178.316 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.97 -52.46 33.41 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.358 1.436 . . . . 0.0 114.514 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.41 -17.5 64.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.659 1.584 . . . . 0.0 113.033 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -56.85 -29.69 63.11 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 121.781 2.082 . . . . 0.0 110.69 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -72.35 -5.78 38.74 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.971 0.908 . . . . 0.0 112.841 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.41 -36.9 5.66 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.345 -1.472 . . . . 0.0 112.982 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.43 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 19.7 mm -53.41 -14.67 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 110.859 171.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -35.0 62.71 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 122.299 2.318 . . . . 0.0 110.479 170.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.8 58.33 0.61 Allowed 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.54 -48.71 9.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.354 -1.338 . . . . 0.0 110.32 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -151.58 -54.13 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.914 0.779 . . . . 0.0 112.489 -173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -155.1 160.02 40.66 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 129.194 2.998 . . . . 0.0 104.08 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.4 m -56.92 -34.31 67.82 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.052 1.751 . . . . 0.0 112.659 -174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -63.47 -74.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.38 -23.56 25.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.801 1.64 . . . . 0.0 113.032 -172.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -64.89 -81.57 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 126.773 2.029 . . . . 0.0 110.944 168.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -37.62 35.26 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 123.123 0.569 . . . . 0.0 110.914 -173.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 64.4 mt-10 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 126.717 2.007 . . . . 0.0 112.609 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -58.47 -35.4 72.12 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 120.587 1.539 . . . . 0.0 110.656 168.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.567 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.15 -29.6 61.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.796 1.18 . . . . 0.0 109.915 -172.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.1 m -76.93 -22.05 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 124.062 0.945 . . . . 0.0 111.497 170.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -83.41 -50.64 8.12 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -42.2 -42.99 3.2 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 119.428 1.013 . . . . 0.0 111.925 174.273 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD13 HD12 ' A' ' 57' ' ' LEU . 2.1 mp -79.83 -23.45 42.02 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -61.46 -55.12 34.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.552 1.069 . . . . 0.0 111.893 165.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.57 -42.31 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.825 0.821 . . . . 0.0 109.54 -171.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -57.62 -27.5 62.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.746 1.218 . . . . 0.0 111.587 177.044 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -29.12 65.66 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 120.391 1.451 . . . . 0.0 109.831 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -49.55 -68.02 0.21 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.478 1.911 . . . . 0.0 109.454 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.92 -28.11 68.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.105 0.962 . . . . 0.0 112.014 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -21.84 65.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 0.677 . . . . 0.0 111.55 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.66 11.65 0.29 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-O 116.943 -2.032 . . . . 0.0 114.948 -173.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.26 97.09 10.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 121.427 2.614 . . . . 0.0 110.759 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -38.41 -56.37 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.339 1.855 . . . . 0.0 109.904 164.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -148.51 106.3 3.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -24.41 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 115.865 -2.017 . . . . 0.0 110.125 155.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -44.92 -64.01 0.8 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.74 1.609 . . . . 0.0 109.932 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.02 -49.75 68.96 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.084 0.553 . . . . 0.0 111.138 -175.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.17 -21.13 30.73 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.955 1.702 . . . . 0.0 112.036 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.97 -35.02 9.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 116.43 -1.747 . . . . 0.0 107.321 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -57.54 -33.44 68.1 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 121.642 2.019 . . . . 0.0 109.877 168.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.0 -1.32 5.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.861 1.664 . . . . 0.0 111.605 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.3 mtp -115.91 -41.47 3.19 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.762 2.025 . . . . 0.0 110.321 164.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.72 -70.61 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.219 1.827 . . . . 0.0 109.21 -166.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -34.76 49.17 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 126.041 1.736 . . . . 0.0 108.325 172.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -81.44 -16.44 52.05 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -49.47 40.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.494 1.497 . . . . 0.0 108.329 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 0.89 0.23 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.6 -159.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 p 53.83 22.5 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.565 1.075 . . . . 0.0 113.564 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -152.35 -45.7 0.1 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.117 1.767 . . . . 0.0 108.602 -172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.48 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.2 ttt -132.05 65.97 1.56 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -72.35 80.02 1.02 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.879 2.471 . . . . 0.0 110.024 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.324 0.4 OUTLIER 46.16 104.37 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 128.519 2.728 . . . . 0.0 115.032 -175.219 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 t -146.2 5.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 127.644 2.378 . . . . 0.0 108.984 -158.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 71.26 155.69 0.15 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 129.455 3.102 . . . . 0.0 109.118 -173.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER 49.14 -17.68 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 130.112 3.365 . . . . 0.0 118.932 -174.145 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -42.35 -69.12 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 C-N-CA 127.091 2.156 . . . . 0.0 111.825 -166.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -98.2 36.38 1.6 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.345 -0.847 . . . . 0.0 111.41 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.15 -41.04 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 123.944 0.897 . . . . 0.0 110.714 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.65 -46.98 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.923 0.783 . . . . 0.0 113.048 -169.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 2.9 tt -63.92 -42.42 97.4 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.416 0.686 . . . . 0.0 109.297 175.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.22 -12.69 54.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.431 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -103.72 1.69 32.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.497 1.519 . . . . 0.0 112.106 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -120.64 -85.35 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.031 1.333 . . . . 0.0 111.615 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -60.4 2.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.474 -1.392 . . . . 0.0 110.128 -168.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.93 -35.45 10.68 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 174.142 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -36.58 29.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.854 1.261 . . . . 0.0 111.242 -175.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.52 -6.88 4.68 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.82 -66.47 0.71 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.972 1.26 . . . . 0.0 111.433 -163.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.779 HG22 ' H ' ' A' ' 25' ' ' GLU 0.299 4.1 p -84.98 -160.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 167.86 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.779 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -142.81 177.14 8.54 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.311 1.845 . . . . 0.0 107.461 -176.829 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -78.46 -8.08 58.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 25' ' ' GLU . 3.3 t -86.16 172.54 10.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.517 1.053 . . . . 0.0 110.744 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t 64.7 135.55 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.843 2.857 . . . . 0.0 112.87 -168.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -82.18 -18.49 42.55 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 116.933 -1.508 . . . . 0.0 112.299 167.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.15 -47.36 81.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 120.934 1.697 . . . . 0.0 109.471 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -54.39 -56.18 21.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.213 1.005 . . . . 0.0 111.456 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.08 73.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 127.87 2.468 . . . . 0.0 112.459 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -57.28 -28.72 63.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.542 1.137 . . . . 0.0 110.755 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -32.09 17.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.744 1.618 . . . . 0.0 112.14 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.49 -41.08 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.102 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.92 -32.53 72.02 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.4 1.455 . . . . 0.0 112.958 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -46.99 80.2 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.913 0.885 . . . . 0.0 111.097 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.33 -33.71 21.25 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.495 1.043 . . . . 0.0 110.839 176.028 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -66.38 -19.64 65.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.562 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -38.12 10.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 126.534 1.933 . . . . 0.0 111.763 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.6 mm -62.58 -20.4 24.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 125.288 1.435 . . . . 0.0 110.295 -169.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.469 HD21 ' SD ' ' A' ' 54' ' ' MET . 23.6 mt -54.27 -35.65 62.78 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.452 2.301 . . . . 0.0 110.717 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 48.2 mt -113.33 56.48 0.69 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 167.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.76 9.63 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -140.2 -75.41 0.34 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -137.8 161.98 35.16 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.175 1.79 . . . . 0.0 106.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -55.2 -34.92 64.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.753 1.615 . . . . 0.0 111.461 -170.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -60.86 -76.8 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.591 0.557 . . . . 0.0 110.043 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.82 -25.61 65.12 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.819 0.447 . . . . 0.0 111.808 -166.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -56.44 -83.46 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.779 2.032 . . . . 0.0 111.321 170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -36.9 42.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.845 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.5 -54.17 47.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.822 0.849 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -55.99 -35.07 66.37 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.709 -1.244 . . . . 0.0 110.957 172.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.628 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -69.78 -21.73 63.39 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.53 0.605 . . . . 0.0 110.145 -170.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.56 -41.7 29.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.862 1.265 . . . . 0.0 107.646 170.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -47.39 84.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.97 0.908 . . . . 0.0 111.89 -168.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.93 -50.54 18.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.362 0.665 . . . . 0.0 112.4 172.23 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -70.07 -23.91 63.15 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 116.636 -1.649 . . . . 0.0 112.6 -176.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.0 p -58.94 -50.61 73.4 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 121.085 1.766 . . . . 0.0 111.056 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.26 -30.8 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.073 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -63.35 -32.86 74.39 Favored 'General case' 0 C--O 1.225 -0.195 0 O-C-N 120.836 -1.165 . . . . 0.0 110.167 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -30.52 65.84 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 120.456 1.48 . . . . 0.0 109.292 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -52.88 -63.13 1.25 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.661 1.185 . . . . 0.0 109.288 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.34 -25.4 65.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.173 0.589 . . . . 0.0 112.553 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -11.83 58.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.268 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.74 4.2 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.848 2.166 . . . . 0.0 113.228 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.22 50.27 1.69 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.42 1.11 . . . . 0.0 108.717 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -50.04 -27.08 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.854 1.262 . . . . 0.0 112.714 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.38 -52.41 65.75 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.272 1.829 . . . . 0.0 110.375 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 3.7 tp -79.47 23.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 125.759 1.623 . . . . 0.0 110.346 -166.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -79.55 -70.51 0.5 Allowed 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 160.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.35 -55.93 11.78 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.436 -1.415 . . . . 0.0 114.663 -163.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.758 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -61.55 0.09 0.36 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.159 1.384 . . . . 0.0 113.184 171.193 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -100.97 -46.46 5.09 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 116.114 -1.898 . . . . 0.0 106.211 170.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.12 -25.14 12.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.547 1.976 . . . . 0.0 111.627 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -70.05 -70.14 0.31 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.602 0.761 . . . . 0.0 110.145 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.1 mmm -48.95 -40.39 30.11 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.017 1.327 . . . . 0.0 114.187 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.48 -51.0 21.99 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 127.036 2.134 . . . . 0.0 109.041 -173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.85 78.86 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 109.744 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -11.42 59.93 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 119.273 -2.142 . . . . 0.0 111.505 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -51.86 29.43 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.19 6.12 0.08 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.318 1.047 . . . . 0.0 112.396 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.7 p 57.41 30.34 18.43 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.469 1.508 . . . . 0.0 111.049 -173.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -161.0 -26.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -166.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.923 2.089 . . . . 0.0 112.146 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.37 91.26 8.06 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -77.37 78.25 3.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.397 0.279 . . . . 0.0 110.637 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.41 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 13.1 t0 65.09 151.55 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.744 2.418 . . . . 0.0 112.11 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 9' ' ' LYS . 2.4 t -154.4 -4.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.93 2.092 . . . . 0.0 110.015 -156.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 5.4 mmtt 63.65 -20.66 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.49 3.116 . . . . 0.0 114.436 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.74 9.87 7.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.277 0.944 . . . . 0.0 112.453 -157.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 t -53.25 -50.74 64.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.741 0.417 . . . . 0.0 111.258 -169.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.9 m -105.54 39.52 1.73 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.666 0.786 . . . . 0.0 110.213 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.49 -55.17 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 152.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' LEU 0.35 2.4 m -57.85 -69.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 120.964 1.711 . . . . 0.0 112.979 -166.078 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 23.6 tp -65.33 -32.7 74.49 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 HE21 ' A' ' 20' ' ' GLN . 0.8 OUTLIER -53.68 -21.49 7.1 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.636 1.974 . . . . 0.0 113.423 174.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -117.59 1.69 12.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.154 1.782 . . . . 0.0 112.943 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.92 -79.12 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.612 1.096 . . . . 0.0 108.689 168.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -55.1 3.86 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 123.358 1.551 . . . . 0.0 110.078 -158.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.472 HE21 HD22 ' A' ' 16' ' ' LEU . 6.5 pm0 -71.11 -3.47 20.09 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 128.242 2.617 . . . . 0.0 115.659 172.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -41.83 -52.87 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 164.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.16 -26.65 0.71 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.486 -1.245 . . . . 0.0 113.467 -174.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.48 -80.55 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 120.314 1.415 . . . . 0.0 109.353 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 31' ' ' TRP . 73.1 t -68.59 134.93 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.94 2.496 . . . . 0.0 105.209 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.09 153.21 31.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.441 -170.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 -171.16 0.18 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.481 1.912 . . . . 0.0 113.415 166.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -77.37 -28.49 52.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.247 -0.908 . . . . 0.0 112.973 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 24.39 73.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.759 2.824 . . . . 0.0 114.475 161.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -57.37 -19.26 21.88 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.374 -1.454 . . . . 0.0 113.802 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.9 tp -47.57 -60.88 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.116 1.766 . . . . 0.0 110.808 163.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -62.45 -45.61 92.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.947 0.899 . . . . 0.0 110.553 178.142 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.9 59.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.8 0.84 . . . . 0.0 112.173 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.23 -34.31 56.55 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.791 2.037 . . . . 0.0 113.278 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.47 -29.65 21.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.075 0.55 . . . . 0.0 110.338 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.99 -42.73 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.297 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.91 -25.8 61.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.272 1.396 . . . . 0.0 113.342 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -26.89 22.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.598 1.159 . . . . 0.0 111.483 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -32.57 49.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.357 1.435 . . . . 0.0 110.635 171.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.17 -21.33 64.9 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.496 1.518 . . . . 0.0 113.766 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -53.16 6.63 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 169.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.7 mp -51.44 -26.89 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 115.731 -2.081 . . . . 0.0 114.028 -171.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.48 17.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 123.412 2.824 . . . . 0.0 113.058 -176.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.01 51.96 0.93 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.56 3.21 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -133.02 -59.45 0.88 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.646 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -155.63 165.54 36.25 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.153 -2.165 . . . . 0.0 105.153 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -62.37 -20.7 64.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.091 1.356 . . . . 0.0 113.758 -167.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.1 m -79.72 -67.9 0.72 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -51.27 -31.31 20.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.396 2.279 . . . . 0.0 113.187 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -66.52 -72.83 0.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 130.042 3.337 . . . . 0.0 110.826 172.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -35.05 62.3 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.877 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 20.7 mt-10 -65.87 -35.81 81.69 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.399 2.279 . . . . 0.0 111.08 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.31 -40.46 86.3 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 118.948 -2.345 . . . . 0.0 109.574 163.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.698 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.17 -23.74 59.29 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.329 1.452 . . . . 0.0 111.435 -166.005 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.0 m -76.18 -43.3 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 126.552 1.941 . . . . 0.0 107.657 171.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.1 p -58.76 -47.25 85.33 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.9 -40.88 31.59 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.97 1.308 . . . . 0.0 112.131 176.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.59 -38.22 59.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.041 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.47 -25.19 67.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.047 0.939 . . . . 0.0 113.494 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 p -93.63 -2.21 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 126.156 1.782 . . . . 0.0 111.788 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.13 -26.69 11.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.135 1.774 . . . . 0.0 110.926 -177.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.7 -30.77 34.02 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.534 1.061 . . . . 0.0 110.837 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -60.73 2.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.113 1.365 . . . . 0.0 110.318 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 ptp -73.23 -23.74 60.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.485 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -31.82 72.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 118.673 0.669 . . . . 0.0 109.243 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.64 41.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.56 1.076 . . . . 0.0 113.221 -173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.11 126.1 46.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.163 1.482 . . . . 0.0 108.192 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.52 -52.75 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 120.157 1.344 . . . . 0.0 109.134 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.53 96.77 3.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -170.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -134.13 -15.37 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 123.769 0.828 . . . . 0.0 112.217 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -59.74 -58.11 9.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.31 59.31 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.53 0.25 20.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.497 1.044 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.3 t -124.42 -17.16 6.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.496 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -26.6 12.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.743 1.611 . . . . 0.0 113.228 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.03 -18.95 61.92 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.039 -1.038 . . . . 0.0 110.778 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 tpt -91.61 -8.79 46.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.636 1.574 . . . . 0.0 110.772 172.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.92 -73.76 0.52 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 122.541 1.162 . . . . 0.0 109.884 -156.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.97 -37.2 78.92 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.81 2.444 . . . . 0.0 109.266 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -0.21 57.34 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 119.893 -1.754 . . . . 0.0 112.159 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -69.79 -57.04 5.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.367 -1.458 . . . . 0.0 108.846 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.7 13.32 0.34 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.524 1.13 . . . . 0.0 111.463 -173.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.25 15.4 p 53.58 42.91 31.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 0.0 110.492 -166.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -34.29 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -163.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.507 0.723 . . . . 0.0 111.581 178.217 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.528 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -105.95 20.06 19.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.93 2.092 . . . . 0.0 109.274 174.28 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p 47.64 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.077 1.751 . . . . 0.0 112.853 -168.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.75 130.33 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 128.938 2.895 . . . . 0.0 107.479 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -137.72 0.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.613 1.565 . . . . 0.0 109.824 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.313 4.6 mmmm 78.1 -60.14 0.42 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -88.76 84.97 6.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.662 0.785 . . . . 0.0 112.953 163.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -71.49 0.75 Allowed 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.109 0.563 . . . . 0.0 109.619 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -95.42 36.01 1.28 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.33 -1.481 . . . . 0.0 110.43 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.25 -38.43 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 120.75 -1.219 . . . . 0.0 109.976 -174.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 m -47.07 -70.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 126.526 1.93 . . . . 0.0 109.173 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 19' ' ' LEU . 15.6 tp -57.15 -33.25 67.21 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.947 0.899 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -56.76 -26.24 57.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.974 1.709 . . . . 0.0 111.919 -178.422 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -110.07 3.69 20.55 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 130.817 3.647 . . . . 0.0 111.059 -174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 14' ' ' VAL . 81.2 t -105.76 -86.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.944 1.298 . . . . 0.0 109.816 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.908 HD11 HG13 ' A' ' 55' ' ' VAL . 4.1 mt -83.41 -61.6 1.8 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -173.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -62.78 -4.21 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -47.54 -26.91 1.57 Allowed 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 126.916 2.086 . . . . 0.0 114.897 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.29 -28.94 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.869 1.667 . . . . 0.0 108.786 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.419 1.488 . . . . 0.0 112.694 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.669 HG11 ' CG ' ' A' ' 31' ' ' TRP . 40.4 t -100.73 126.54 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 175.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -55.81 -30.16 60.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.084 1.354 . . . . 0.0 112.233 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t 91.82 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.817 2.447 . . . . 0.0 110.078 166.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -130.98 170.11 14.91 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.785 0.834 . . . . 0.0 110.547 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m 44.4 -167.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.77 1.628 . . . . 0.0 112.729 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -108.14 -6.26 16.53 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.622 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.628 HD13 HE21 ' A' ' 65' ' ' GLN . 0.7 OUTLIER -47.77 -60.97 2.19 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 121.005 1.73 . . . . 0.0 108.848 172.213 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.868 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -70.5 -40.12 73.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 120.448 -1.407 . . . . 0.0 110.857 -177.554 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 29' ' ' LYS . . . -58.64 -24.14 60.54 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.243 -178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -58.27 -31.6 67.6 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.829 2.052 . . . . 0.0 111.174 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 m -85.53 -35.47 21.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 118.82 -0.609 . . . . 0.0 111.386 168.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 119.405 1.002 . . . . 0.0 111.609 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.4 pt20 -53.62 -44.98 69.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.342 1.057 . . . . 0.0 109.685 173.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -73.1 -38.37 66.39 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 117.412 -1.28 . . . . 0.0 108.543 -176.386 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -53.1 -37.67 61.92 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 121.195 1.816 . . . . 0.0 111.267 177.333 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.9 -31.64 71.96 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.045 0.938 . . . . 0.0 110.861 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.566 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 3.2 m-20 -87.53 -36.98 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.58 1.152 . . . . 0.0 110.389 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.2 mp -52.45 -30.03 13.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 CA-C-N 120.268 1.395 . . . . 0.0 111.063 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -28.69 15.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 121.081 1.764 . . . . 0.0 113.922 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' SD ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -107.19 49.54 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.506 0.504 . . . . 0.0 111.743 171.385 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.79 -45.0 10.71 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.518 -0.739 . . . . 0.0 110.888 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -147.14 -62.57 0.28 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.04 153.32 42.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 127.4 2.28 . . . . 0.0 106.475 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 m -61.01 -23.69 65.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.706 2.503 . . . . 0.0 112.213 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.8 m -67.74 -86.55 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 167.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.31 -35.18 1.4 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.328 2.251 . . . . 0.0 115.187 -173.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.4 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.472 1.509 . . . . 0.0 112.188 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -36.53 32.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.545 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 1.7 mt-10 -48.54 -58.22 5.01 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -72.94 -23.33 60.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.265 0.626 . . . . 0.0 112.397 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.558 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.53 -23.3 67.23 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.47 -1.394 . . . . 0.0 111.272 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 HD11 ' A' ' 19' ' ' LEU . 54.6 t -83.49 -35.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.078 0 CA-C-O 116.987 -1.482 . . . . 0.0 108.14 171.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -55.7 -52.51 63.64 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.573 1.533 . . . . 0.0 112.299 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -43.3 -49.64 6.75 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.255 0.622 . . . . 0.0 110.107 174.728 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -70.68 -39.1 73.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.439 -178.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -26.81 54.74 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.136 2.174 . . . . 0.0 112.111 174.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -107.43 -2.59 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.806 1.242 . . . . 0.0 110.84 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.868 HD11 ' HA ' ' A' ' 31' ' ' TRP . 2.9 tm? -104.86 -31.27 9.36 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 120.16 -1.587 . . . . 0.0 110.03 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 70' ' ' ILE . 1.6 pt? -61.42 -20.26 62.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.7 m -49.74 -70.83 0.08 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 129.795 3.238 . . . . 0.0 112.12 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.422 ' HG3' HD21 ' A' ' 30' ' ' LEU . 12.4 ptm -66.03 -30.05 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.008 0.523 . . . . 0.0 111.158 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.628 HE21 HD13 ' A' ' 30' ' ' LEU . 10.5 mm-40 -60.53 -27.78 67.9 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.676 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.34 54.34 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.68 1.133 . . . . 0.0 112.033 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . . . -139.63 105.08 5.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 123.661 1.696 . . . . 0.0 111.166 171.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.345 7.6 p -82.46 -11.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.882 -1.136 . . . . 0.0 111.152 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' C ' HD21 ' A' ' 73' ' ' LEU . 1.4 m-20 -137.08 82.03 1.91 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.333 1.853 . . . . 0.0 106.56 -168.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 62' ' ' LEU . 7.0 tp -160.19 17.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 123.509 0.723 . . . . 0.0 111.21 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -88.79 -62.29 1.52 Allowed 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -45.86 15.9 Favored 'General case' 0 C--O 1.219 -0.531 0 O-C-N 121.762 -0.586 . . . . 0.0 111.469 -168.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -70.03 -2.86 13.93 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.904 -1.747 . . . . 0.0 112.549 173.434 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.93 -26.09 9.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 117.028 -1.463 . . . . 0.0 110.628 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -34.55 20.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 120.19 1.359 . . . . 0.0 108.797 175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.74 -7.86 48.02 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.311 1.844 . . . . 0.0 113.891 -176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 mtt -121.13 1.82 10.34 Favored 'General case' 0 N--CA 1.469 0.495 1 C-N-CA 134.244 5.018 . . . . 0.0 113.344 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -132.72 -73.87 0.5 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.97 -53.22 60.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 128.129 2.572 . . . . 0.0 108.391 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -76.24 -8.78 57.81 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 119.011 -2.306 . . . . 0.0 113.771 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -64.59 -60.08 3.54 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 120.081 1.309 . . . . 0.0 108.25 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.25 11.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.309 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.303 1.8 p 62.53 20.21 11.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.065 1.346 . . . . 0.0 112.842 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 84' ' ' LEU . 10.1 tp -156.89 -61.5 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.105 0.562 . . . . 0.0 110.067 -163.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 11.0 tm0? . . . . . 0 C--O 1.256 1.412 0 C-N-CA 128.045 2.538 . . . . 0.0 111.05 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.98 123.32 26.66 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.618 0.767 . . . . 0.0 109.285 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -68.96 -45.38 70.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.249 0.62 . . . . 0.0 110.874 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -152.57 171.26 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 120.887 -1.133 . . . . 0.0 111.396 168.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.2 65.65 1.45 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.451 1.9 . . . . 0.0 110.392 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -92.2 104.03 16.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.598 1.959 . . . . 0.0 109.489 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.373 3.2 p30 44.93 104.22 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 130.217 3.407 . . . . 0.0 114.244 -178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -147.07 24.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 130.147 3.379 . . . . 0.0 106.042 -163.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 72.46 -57.97 0.61 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 131.202 3.801 . . . . 0.0 111.106 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 m -119.96 45.27 2.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.698 1.599 . . . . 0.0 112.24 -161.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.4 m -47.32 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.342 1.857 . . . . 0.0 112.238 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.79 37.38 2.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.103 0.961 . . . . 0.0 110.563 -162.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -122.36 -49.94 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.255 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.275 34.8 m -49.27 -51.99 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -168.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.35 -27.9 59.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.058 -1.026 . . . . 0.0 111.799 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.23 -33.67 76.28 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 t -77.28 -2.8 36.63 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.77 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -121.14 -62.54 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.549 1.522 . . . . 0.0 110.785 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -76.0 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.881 -1.137 . . . . 0.0 111.426 -167.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.76 -11.67 1.05 Allowed 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -35.18 31.94 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.019 173.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -35.02 0.49 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.81 -1.091 . . . . 0.0 113.652 171.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -65.27 -73.54 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.138 1.336 . . . . 0.0 110.234 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 31' ' ' TRP . 1.9 p -92.23 125.05 44.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 126.71 2.004 . . . . 0.0 106.131 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.8 -76.17 0.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -165.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -171.94 154.31 3.47 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.281 1.432 . . . . 0.0 107.15 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.9 m 35.67 86.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.404 2.282 . . . . 0.0 114.175 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -132.34 110.11 10.34 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 163.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -51.86 -32.57 32.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.451 1.023 . . . . 0.0 110.871 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 64' ' ' MET . 5.0 tt -50.5 -63.39 1.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.439 1.496 . . . . 0.0 109.754 170.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.462 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -64.17 -39.53 94.19 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.567 -1.333 . . . . 0.0 111.564 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -60.0 -27.7 67.1 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -18.75 35.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.669 1.588 . . . . 0.0 112.802 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -110.74 -28.99 8.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.142 1.377 . . . . 0.0 111.877 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -64.42 -25.62 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 119.452 1.024 . . . . 0.0 111.16 177.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.196 0.907 . . . . 0.0 109.149 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.26 73.48 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.065 -1.022 . . . . 0.0 110.648 -170.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -32.47 38.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.025 -0.988 . . . . 0.0 112.729 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -66.74 -35.79 80.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.447 1.021 . . . . 0.0 110.23 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.53 -41.52 24.03 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.303 1.441 . . . . 0.0 108.172 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 mm -49.29 -24.29 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.427 2.291 . . . . 0.0 113.401 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -31.54 67.58 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 122.866 2.575 . . . . 0.0 113.41 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 43' ' ' LEU . 57.6 mt -107.54 54.73 0.66 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.15 0.98 . . . . 0.0 108.631 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 -40.83 12.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.453 0.471 . . . . 0.0 111.432 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -153.32 -74.23 0.13 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -163.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -151.1 161.17 43.23 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -55.04 -30.19 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.088 1.355 . . . . 0.0 112.651 -168.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -68.1 -77.46 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.801 0.84 . . . . 0.0 108.875 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.3 -24.14 67.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 112.607 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -59.47 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.396 1.878 . . . . 0.0 111.526 165.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.53 53.33 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.011 0.524 . . . . 0.0 110.91 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.24 -54.09 35.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.469 1.108 . . . . 0.0 110.413 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -21.89 63.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 122.073 -0.392 . . . . 0.0 110.039 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -29.73 70.87 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.784 -1.198 . . . . 0.0 109.23 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.73 -33.07 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.887 1.675 . . . . 0.0 108.984 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.6 t -52.72 -67.57 0.24 Allowed 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.777 1.231 . . . . 0.0 111.323 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -35.46 -61.56 0.44 Allowed 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.941 1.697 . . . . 0.0 112.114 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.21 -29.96 70.13 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -72.18 -35.1 68.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.585 0.629 . . . . 0.0 110.862 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -48.03 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.228 1.011 . . . . 0.0 109.387 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.21 -27.63 65.91 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.497 2.319 . . . . 0.0 112.437 -177.49 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.95 -21.88 66.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.985 -1.072 . . . . 0.0 109.777 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 m -57.23 -65.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.244 1.017 . . . . 0.0 110.57 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.522 ' HG3' HD21 ' A' ' 30' ' ' LEU . 18.0 ptp -58.41 -31.6 67.86 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.433 1.015 . . . . 0.0 110.855 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.52 -23.58 67.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.296 0.638 . . . . 0.0 111.493 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.17 14.48 0.09 OUTLIER Glycine 0 CA--C 1.532 1.122 0 CA-C-O 117.819 -1.545 . . . . 0.0 114.966 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.75 148.22 41.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.967 2.384 . . . . 0.0 112.273 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -120.15 -44.08 2.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 125.639 1.576 . . . . 0.0 108.506 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.51 90.44 3.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 70' ' ' ILE . 5.6 tp -140.12 10.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 O-C-N 121.606 -0.684 . . . . 0.0 111.31 156.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -81.35 -80.33 0.15 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.235 -1.386 . . . . 0.0 109.004 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.37 -61.78 2.11 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -163.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.7 pt? -54.56 0.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.544 2.338 . . . . 0.0 115.586 169.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.5 -27.34 6.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 116.582 -1.675 . . . . 0.0 108.353 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.24 -21.6 0.29 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 127.318 2.247 . . . . 0.0 113.588 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.48 -6.89 1.78 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 169.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -120.37 -2.43 10.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.238 1.415 . . . . 0.0 110.499 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.24 -68.28 0.93 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.982 1.713 . . . . 0.0 107.125 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.67 -35.89 79.69 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 120.614 -1.304 . . . . 0.0 110.857 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -90.69 6.65 43.13 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.757 -1.839 . . . . 0.0 111.382 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -74.58 -54.51 7.33 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.265 -1.522 . . . . 0.0 109.587 156.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.1 -4.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -154.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.273 15.0 p 52.16 27.01 4.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.393 1.877 . . . . 0.0 111.935 -166.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.55 -39.11 0.08 Allowed 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.253 -161.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.244 0.802 0 C-N-CA 127.007 2.123 . . . . 0.0 112.4 -148.182 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.727 0 CA-C-O 118.751 -1.027 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 -19.59 1.14 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.67 1.188 . . . . 0.0 112.348 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.89 162.64 41.04 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.234 1.413 . . . . 0.0 108.307 165.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.2 -44.38 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.479 1.512 . . . . 0.0 109.366 171.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.91 134.42 34.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.101 1.76 . . . . 0.0 106.553 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -69.91 -167.16 0.14 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.548 0.613 . . . . 0.0 111.283 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -61.84 132.63 53.7 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 149.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.28 18.6 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 130.134 3.374 . . . . 0.0 105.156 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? 74.84 -48.12 0.64 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 131.569 3.948 . . . . 0.0 110.459 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.6 p -90.4 63.66 5.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.999 -173.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 p -60.42 -82.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.928 0.785 . . . . 0.0 110.261 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 5.5 t -121.92 38.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.973 -1.079 . . . . 0.0 110.526 -172.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 16.3 m -117.6 -26.33 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.509 -163.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.256 1.2 m -74.16 -33.82 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.043 1.292 . . . . 0.0 110.352 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.77 -30.01 67.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -3.98 8.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.762 2.025 . . . . 0.0 112.092 168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -119.58 -1.6 10.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.831 2.052 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -112.83 -56.86 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 125.105 1.362 . . . . 0.0 110.758 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -69.8 0.8 Allowed 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.355 -0.841 . . . . 0.0 109.147 -155.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -26.44 0.55 Allowed 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 125.504 1.522 . . . . 0.0 113.74 162.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.34 -32.91 5.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.14 1.776 . . . . 0.0 111.407 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -35.28 0.54 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.127 0.971 . . . . 0.0 113.574 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.94 -73.84 0.44 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -87.96 54.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.501 1.52 . . . . 0.0 108.581 173.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.6 60.56 1.67 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.156 -0.965 . . . . 0.0 110.649 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -152.94 138.06 17.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.372 -0.83 . . . . 0.0 109.639 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -77.12 127.1 32.05 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.992 0.917 . . . . 0.0 108.982 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 t -165.03 141.58 5.74 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.83 -32.98 69.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.331 0.968 . . . . 0.0 111.042 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.2 tt -44.76 -74.36 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.273 1.829 . . . . 0.0 109.931 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.02 73.1 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.083 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.25 -16.57 60.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.275 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -25.04 67.95 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.701 1.592 . . . . 0.0 111.922 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -101.11 -29.65 12.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 111.024 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -25.08 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 118.915 -1.114 . . . . 0.0 111.013 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -61.99 -58.82 6.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.737 1.608 . . . . 0.0 109.394 166.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -32.17 70.01 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.665 1.186 . . . . 0.0 111.397 -170.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -54.73 -30.67 56.81 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.91 -1.119 . . . . 0.0 112.477 176.131 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -14.88 61.43 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.581 1.552 . . . . 0.0 112.2 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -54.23 5.53 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 162.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mp -46.47 -33.4 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 115.158 -2.354 . . . . 0.0 113.557 -170.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.11 -39.01 2.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 122.994 2.634 . . . . 0.0 112.842 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -111.59 54.81 0.68 Allowed 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.7 5.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -140.44 -54.22 0.51 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.777 0.831 . . . . 0.0 111.058 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -149.42 157.86 43.67 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 129.028 2.931 . . . . 0.0 103.665 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.3 m -51.14 -43.42 61.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.999 1.32 . . . . 0.0 111.515 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 m -74.3 -65.17 0.88 Allowed 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.373 1.045 . . . . 0.0 108.999 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.9 -23.69 54.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.217 1.807 . . . . 0.0 114.139 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -68.09 -70.27 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.814 2.446 . . . . 0.0 110.112 166.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.62 -47.01 14.77 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.433 1.093 . . . . 0.0 110.892 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -49.89 -53.47 25.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.836 1.654 . . . . 0.0 109.745 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.25 -31.55 72.77 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.198 -0.939 . . . . 0.0 112.158 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.413 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -60.75 -35.15 75.67 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.617 1.567 . . . . 0.0 113.161 173.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -73.85 -32.72 35.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 123.946 0.898 . . . . 0.0 110.295 168.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -68.42 -46.76 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.31 -48.99 24.92 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 118.129 -0.938 . . . . 0.0 112.073 173.276 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.26 14.8 mt -64.5 -33.57 76.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.532 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -40.55 93.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.715 1.143 . . . . 0.0 113.658 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.7 -42.43 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.789 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -57.3 -27.94 62.62 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.906 1.682 . . . . 0.0 110.863 175.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -53.67 -14.12 0.82 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.273 174.196 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -33.66 -55.07 0.45 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 128.929 2.892 . . . . 0.0 111.098 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -85.21 -52.28 6.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.075 0.95 . . . . 0.0 110.643 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 7.1 mm100 -53.34 -27.08 21.57 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.337 1.055 . . . . 0.0 112.793 -168.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.3 31.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 CA-C-O 117.92 -1.489 . . . . 0.0 115.734 -169.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.28 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.114 1.957 . . . . 0.0 114.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.299 10.3 m 38.78 -62.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.648 1 C-N-CA 132.271 4.228 . . . . 0.0 112.986 -144.286 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.561 ' CA ' HD21 ' A' ' 73' ' ' LEU . 11.6 m-20 -73.3 53.86 0.4 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.329 2.252 . . . . 0.0 110.136 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tp -141.62 15.29 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 O-C-N 120.117 -1.614 . . . . 0.0 111.894 170.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.33 -71.73 0.73 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.587 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -56.27 6.62 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.553 1.07 . . . . 0.0 111.105 -171.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.682 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.2 pt? -61.78 1.56 0.25 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 172.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.8 t -112.52 -15.76 13.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.742 -2.075 . . . . 0.0 109.328 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -21.92 43.81 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 122.159 2.254 . . . . 0.0 112.118 -167.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -55.74 -6.72 0.23 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 166.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttp -114.23 -17.39 11.87 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 121.137 1.79 . . . . 0.0 110.131 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.92 -73.42 0.65 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.459 1.903 . . . . 0.0 108.106 -171.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.47 -47.03 63.28 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.011 1.324 . . . . 0.0 110.245 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.68 -12.24 60.01 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 120.435 -1.416 . . . . 0.0 112.881 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -65.9 -50.46 64.38 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.415 0.552 . . . . 0.0 110.304 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.73 1.18 0.16 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.428 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.251 23.2 p 49.39 28.45 2.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.86 1.264 . . . . 0.0 112.594 -166.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.72 -41.99 0.14 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.095 1.358 . . . . 0.0 111.207 -168.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.024 1.73 . . . . 0.0 109.297 170.855 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.84 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -69.69 -98.58 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 140.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -26.03 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 130.65 3.58 . . . . 0.0 110.984 162.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -133.65 -18.51 2.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.51 1.524 . . . . 0.0 112.82 -171.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.31 36.78 0.59 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -71.88 -36.07 69.96 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 120.911 -1.118 . . . . 0.0 113.78 -157.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -153.79 110.27 3.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 167.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.37 17.05 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.379 2.672 . . . . 0.0 106.777 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt 61.83 92.69 0.05 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 129.346 3.058 . . . . 0.0 109.055 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m 102.93 -11.29 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.398 3.079 . . . . 0.0 114.037 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -37.43 -57.4 0.92 Allowed 'General case' 0 C--O 1.242 0.703 0 C-N-CA 126.056 1.742 . . . . 0.0 112.725 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -100.72 35.9 2.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.265 -0.897 . . . . 0.0 110.963 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.65 -31.82 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.225 1.41 . . . . 0.0 111.605 170.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.22 -43.06 75.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.531 0.681 . . . . 0.0 112.641 -171.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.52 -28.0 56.2 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 120.965 -1.085 . . . . 0.0 110.425 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.58 -10.23 50.11 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 126.038 1.735 . . . . 0.0 111.551 170.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -117.32 0.49 12.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.263 1.392 . . . . 0.0 112.712 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.06 -50.18 4.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 O-C-N 121.232 -0.917 . . . . 0.0 110.682 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.97 -69.78 0.67 Allowed 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.408 1.004 . . . . 0.0 109.873 -171.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -24.14 19.76 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -44.15 -45.36 8.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.396 1.878 . . . . 0.0 111.221 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -134.97 -38.06 0.79 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.296 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -71.41 -76.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.021 1.282 . . . . 0.0 109.386 -174.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.3 51.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.853 0.835 . . . . 0.0 109.617 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 88.12 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 169.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -155.3 168.82 25.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.827 1.251 . . . . 0.0 108.971 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.2 m -76.23 -174.85 2.94 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.085 0.554 . . . . 0.0 109.642 162.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t 95.54 122.36 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 C-N-CA 129.738 3.215 . . . . 0.0 109.628 172.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.65 0.48 5.43 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 117.803 -1.094 . . . . 0.0 111.659 167.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.55 -55.42 25.76 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 120.858 1.663 . . . . 0.0 109.222 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.78 -45.65 82.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.048 0.539 . . . . 0.0 111.612 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.28 68.99 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -20.17 61.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.614 1.566 . . . . 0.0 112.579 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.67 -26.34 12.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.201 1.401 . . . . 0.0 111.54 172.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -41.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.133 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -50.04 -52.39 34.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.499 1.499 . . . . 0.0 110.566 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.4 -28.93 69.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 120.829 -1.169 . . . . 0.0 111.987 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -37.84 64.16 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.439 1.472 . . . . 0.0 111.121 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -14.16 60.83 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 118.266 0.484 . . . . 0.0 111.458 -174.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -82.58 -43.6 16.86 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.756 1.222 . . . . 0.0 109.189 167.386 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 mp -55.16 -20.96 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 116.216 -1.849 . . . . 0.0 113.185 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -18.38 11.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 123.411 2.823 . . . . 0.0 114.486 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.97 58.96 0.8 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.75 1.34 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? 67.81 -68.88 0.15 Allowed 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.492 1.917 . . . . 0.0 111.221 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -112.38 -168.03 1.26 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.948 2.099 . . . . 0.0 108.545 -167.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -94.59 -36.8 11.65 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 162.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.5 m -70.19 -72.49 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.015 -171.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.71 -25.47 66.44 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.507 0.594 . . . . 0.0 111.099 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.45 -76.43 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.877 2.471 . . . . 0.0 111.08 167.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.447 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.68 -38.85 61.24 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.269 -177.513 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 71.2 mt-10 -59.14 -46.05 89.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.962 1.705 . . . . 0.0 110.845 176.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.03 -36.35 70.35 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.561 1.073 . . . . 0.0 109.504 170.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.635 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -28.39 57.04 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 109.445 -172.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 51' ' ' PHE . 2.4 m -83.93 -19.27 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.634 1.173 . . . . 0.0 110.734 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.4 t -73.16 -55.79 5.99 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 111.782 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -42.96 -53.03 4.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.941 1.296 . . . . 0.0 110.972 177.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.75 -22.85 66.04 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -53.64 50.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 120.288 1.404 . . . . 0.0 110.813 168.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.45 -38.7 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 122.019 -0.426 . . . . 0.0 110.418 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -61.42 -27.61 68.67 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.127 1.371 . . . . 0.0 111.003 174.221 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.37 -22.67 63.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.15 1.341 . . . . 0.0 111.378 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -56.84 -63.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.856 1.662 . . . . 0.0 110.695 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.2 ptp -61.75 -30.54 70.85 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.825 -0.547 . . . . 0.0 110.922 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -8.76 51.54 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.853 -1.07 . . . . 0.0 112.555 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.57 26.64 1.74 Allowed Glycine 0 CA--C 1.529 0.934 0 CA-C-N 120.267 1.394 . . . . 0.0 114.328 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.56 155.57 24.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 118.908 1.354 . . . . 0.0 109.719 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.04 -30.48 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 123.75 0.82 . . . . 0.0 110.18 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.87 -106.24 0.06 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . 0.298 7.3 tp 46.94 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.084 1 C-N-CA 132.331 4.252 . . . . 0.0 112.818 -171.324 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -119.64 -81.05 0.63 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -61.89 -53.59 53.63 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 119.976 1.262 . . . . 0.0 112.842 -172.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.54 1.06 1.86 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.419 -2.05 . . . . 0.0 113.814 173.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.15 -21.45 11.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.217 1.807 . . . . 0.0 111.008 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -20.39 65.43 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 120.302 1.41 . . . . 0.0 109.777 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.42 -9.72 50.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 111.576 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 -11.92 8.58 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 126.446 1.899 . . . . 0.0 113.558 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 mt -98.73 -61.55 1.36 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -50.04 75.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.79 5.27 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.085 1.354 . . . . 0.0 114.328 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -72.41 -53.51 12.04 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 119.625 -1.922 . . . . 0.0 108.898 165.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.12 8.03 0.92 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.312 1.045 . . . . 0.0 113.253 -161.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.265 68.9 p 53.87 19.43 1.94 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.149 1.78 . . . . 0.0 113.468 -162.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.39 -71.69 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.619 1.168 . . . . 0.0 109.513 -172.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.805 0 C-N-CA 131.13 3.772 . . . . 0.0 114.292 -172.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.53 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -77.36 138.03 39.08 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -54.24 101.75 0.05 OUTLIER 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.307 1.043 . . . . 0.0 111.361 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.64 174.18 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.47 1.508 . . . . 0.0 109.671 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.35 56.06 7.99 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.206 1.402 . . . . 0.0 110.172 174.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -54.32 -72.01 0.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.462 1.505 . . . . 0.0 110.022 174.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.16 133.26 27.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.94 0.896 . . . . 0.0 109.046 171.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.84 15.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 127.866 2.466 . . . . 0.0 107.428 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt 71.74 -70.93 0.14 Allowed 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 128.526 2.73 . . . . 0.0 108.423 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -76.67 4.71 8.89 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -167.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 p -41.41 -55.67 2.72 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 127.148 2.179 . . . . 0.0 112.022 -172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -118.82 39.03 3.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.173 0.989 . . . . 0.0 111.421 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.31 -39.08 3.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.925 162.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.268 3.3 m -47.75 -59.41 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.215 1.37 . . . . 0.0 112.562 -173.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -68.51 -33.24 73.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.251 -0.906 . . . . 0.0 112.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.94 -16.25 63.98 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.828 -0.606 . . . . 0.0 112.286 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -102.52 1.72 35.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.374 1.87 . . . . 0.0 112.124 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -110.6 -78.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.728 1.211 . . . . 0.0 109.093 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -63.85 1.07 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 119.597 1.089 . . . . 0.0 109.605 -165.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -12.72 15.23 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -174.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.99 -40.53 6.54 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 125.595 1.558 . . . . 0.0 108.114 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -139.19 -37.58 0.51 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.904 1.682 . . . . 0.0 113.664 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -27.93 39.61 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -159.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.12 134.49 36.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 104.092 -2.559 . . . . 0.0 104.092 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.77 -151.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 120.382 1.447 . . . . 0.0 109.722 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -32.06 70.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.003 -1.061 . . . . 0.0 111.585 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 m 47.08 -161.37 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.999 2.12 . . . . 0.0 113.175 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -79.62 161.39 25.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 164.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -60.44 -18.09 48.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.795 -0.622 . . . . 0.0 112.61 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -40.26 -51.2 2.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.052 1.741 . . . . 0.0 112.655 166.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.521 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.67 -46.23 90.63 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.596 1.188 . . . . 0.0 109.602 -179.413 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.42 65.48 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.497 1.119 . . . . 0.0 112.666 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.37 61.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.295 0.952 . . . . 0.0 112.05 174.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -106.46 -28.67 10.18 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.937 0.895 . . . . 0.0 110.964 170.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -20.74 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 121.326 -0.859 . . . . 0.0 111.535 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -14.0 60.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.367 1.867 . . . . 0.0 114.619 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -120.83 -23.0 6.05 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.191 2.596 . . . . 0.0 108.473 -165.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -49.38 -31.04 8.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.011 -2.306 . . . . 0.0 112.378 171.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -60.46 -34.49 74.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.095 1.758 . . . . 0.0 111.536 177.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -39.9 94.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.049 1.34 . . . . 0.0 109.082 168.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -73.85 -20.67 17.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 O-C-N 119.122 -2.236 . . . . 0.0 111.156 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD21 ' SD ' ' A' ' 54' ' ' MET . 8.3 mt -61.45 -22.44 65.05 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.873 -1.767 . . . . 0.0 114.136 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -120.77 48.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 171.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 -39.11 48.33 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.11 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -156.35 -72.35 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.2 156.36 48.8 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 128.847 2.859 . . . . 0.0 106.147 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.9 m -50.3 -34.4 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.808 1.243 . . . . 0.0 112.387 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -67.9 -78.55 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.637 1.575 . . . . 0.0 109.877 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -57.33 -25.36 59.23 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.6 1.16 . . . . 0.0 111.661 -171.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.646 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -36.17 52.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.551 0.34 . . . . 0.0 110.956 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.41 -54.66 42.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.522 0.729 . . . . 0.0 110.816 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -61.09 -32.25 71.91 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.505 ' SD ' HD21 ' A' ' 42' ' ' LEU . 2.0 ttt -53.42 -36.96 62.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.467 1.507 . . . . 0.0 113.849 168.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.01 -23.41 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.11 0.964 . . . . 0.0 109.4 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 p -63.37 -61.22 2.49 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.069 0.947 . . . . 0.0 112.021 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -57.02 2.77 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 126.759 2.024 . . . . 0.0 110.876 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -68.18 -23.91 64.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 m -69.11 -42.73 75.7 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.766 0.712 . . . . 0.0 111.593 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.11 -34.02 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 122.074 -0.391 . . . . 0.0 111.325 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.54 -30.33 70.58 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 119.657 -1.902 . . . . 0.0 110.375 172.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -26.83 63.69 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.67 -0.644 . . . . 0.0 110.674 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 t -51.67 -59.51 4.2 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.091 1.356 . . . . 0.0 109.515 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.48 -31.17 66.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.766 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -58.46 -28.07 64.98 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.168 0.587 . . . . 0.0 110.193 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.71 0.2 0.14 Allowed Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.473 1.511 . . . . 0.0 113.919 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.15 87.09 4.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 119.29 1.545 . . . . 0.0 110.72 -161.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.7 m -46.36 -45.14 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.73 1.612 . . . . 0.0 112.629 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.7 m-20 -133.01 118.75 19.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 167.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -150.31 12.73 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.856 0.863 . . . . 0.0 112.863 160.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.02 -60.75 1.85 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 119.858 1.208 . . . . 0.0 108.084 164.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -54.98 -71.05 0.09 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.917 -170.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 69' ' ' ASP . 1.1 pt? -61.6 -1.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 120.216 -1.552 . . . . 0.0 115.008 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.96 -13.29 17.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.926 -1.988 . . . . 0.0 109.366 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -32.1 6.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.758 2.023 . . . . 0.0 111.767 -169.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.12 -4.54 0.52 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 128.634 2.774 . . . . 0.0 114.595 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.52 -5.96 9.77 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.266 1.826 . . . . 0.0 111.468 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.12 -65.81 0.96 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.127 1.371 . . . . 0.0 109.592 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.54 -36.35 75.97 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.872 1.269 . . . . 0.0 109.471 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.97 -16.33 57.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.161 -0.962 . . . . 0.0 113.173 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -70.9 -39.81 72.56 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 122.82 0.448 . . . . 0.0 111.888 -167.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.82 6.12 0.06 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 125.986 2.054 . . . . 0.0 110.854 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.274 18.1 p 59.75 18.72 7.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.826 1.193 . . . . 0.0 113.142 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.41 -24.24 0.73 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.081 1.352 . . . . 0.0 113.51 -168.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.88 -1.533 . . . . 0.0 109.701 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.601 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.03 46.55 2.61 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.194 1.398 . . . . 0.0 111.078 -166.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -63.45 -76.54 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 167.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 -70.2 0.25 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.106 -0.996 . . . . 0.0 110.409 169.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ttp -63.38 -22.6 66.98 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.329 -164.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p 64.5 -4.54 0.42 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.775 2.83 . . . . 0.0 116.269 169.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 t0 95.71 133.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 1 C-N-CA 132.094 4.158 . . . . 0.0 108.56 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 t -145.88 24.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 128.29 2.636 . . . . 0.0 107.707 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt 65.97 166.29 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.921 2.489 . . . . 0.0 108.626 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.2 m 56.68 6.23 0.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -60.58 -33.42 72.68 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.481 1.491 . . . . 0.0 111.002 -163.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -128.04 39.6 3.82 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.757 1.623 . . . . 0.0 109.453 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.19 -51.25 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 153.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.283 1.4 m -57.23 -54.3 32.28 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 CA-C-N 118.162 0.437 . . . . 0.0 110.847 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' CG ' ' A' ' 38' ' ' HIS . 14.7 tp -71.18 -22.05 62.08 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.7 -1.25 . . . . 0.0 111.793 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 7.0 mp -74.41 -11.81 60.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.24 1.416 . . . . 0.0 113.559 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -110.55 -29.94 7.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.869 1.668 . . . . 0.0 110.173 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.96 -27.79 2.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.342 -0.848 . . . . 0.0 113.185 -161.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 19' ' ' LEU . 2.4 tm? -114.39 -63.28 1.48 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -54.06 -27.81 34.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.535 -1.222 . . . . 0.0 111.736 -174.624 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -23.38 -54.77 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 130.319 3.448 . . . . 0.0 114.44 -162.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.629 ' C ' HD22 ' A' ' 22' ' ' LEU 0.291 0.0 OUTLIER -132.03 -23.37 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.589 1.555 . . . . 0.0 112.042 176.349 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -61.08 -46.65 89.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 118.477 0.58 . . . . 0.0 111.129 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG11 ' CG ' ' A' ' 31' ' ' TRP . 46.0 t -102.43 122.89 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.07 138.83 52.38 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.848 -0.533 . . . . 0.0 109.765 165.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.01 167.88 14.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.938 1.295 . . . . 0.0 110.515 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m 56.88 63.68 1.86 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 109.659 -160.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 p -141.61 153.09 44.56 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -120.22 -24.91 5.82 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.661 1.184 . . . . 0.0 111.69 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 64' ' ' MET . 48.3 tp -59.44 -48.77 80.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.657 1.117 . . . . 0.0 109.23 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CG ' HG11 ' A' ' 24' ' ' VAL . 1.8 t90 -57.15 -50.38 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.745 0.818 . . . . 0.0 111.567 171.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.3 78.53 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.317 1.447 . . . . 0.0 111.353 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -59.65 -6.89 1.29 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.669 1.587 . . . . 0.0 113.511 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.03 -18.98 9.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.086 1.354 . . . . 0.0 112.607 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -34.81 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.498 167.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -53.07 -49.19 66.87 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.612 1.096 . . . . 0.0 110.56 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -40.07 92.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.139 0.976 . . . . 0.0 110.82 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.78 -34.49 62.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.462 1.028 . . . . 0.0 111.787 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -23.27 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.2 1.0 . . . . 0.0 111.973 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -54.89 7.29 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 118.813 0.733 . . . . 0.0 110.418 165.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.484 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 30.7 mm -54.86 -17.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 116.638 -1.649 . . . . 0.0 112.251 -168.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -37.14 32.76 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 121.39 1.905 . . . . 0.0 112.773 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.34 64.47 0.63 Allowed 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 171.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.15 -59.62 2.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -132.94 -71.08 0.53 Allowed 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.611 0.764 . . . . 0.0 110.092 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -136.43 157.08 47.65 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.124 2.57 . . . . 0.0 104.732 172.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 m -51.43 -26.99 9.01 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 117.319 -1.324 . . . . 0.0 113.454 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.0 m -72.28 -72.75 0.22 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.536 1.516 . . . . 0.0 109.403 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.21 -32.94 25.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.914 1.686 . . . . 0.0 113.03 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.17 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 128.673 2.789 . . . . 0.0 111.246 171.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -33.83 31.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.237 0.615 . . . . 0.0 111.199 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.12 -60.84 2.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.025 0.93 . . . . 0.0 109.965 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -59.66 -30.94 69.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 110.863 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.601 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.04 -24.77 67.57 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.814 1.246 . . . . 0.0 110.909 -175.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.26 -37.05 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.978 1.311 . . . . 0.0 108.275 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -48.63 80.9 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.492 1.117 . . . . 0.0 111.787 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -45.37 -54.65 6.97 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.448 1.099 . . . . 0.0 111.115 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.12 -32.36 73.73 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.475 -1.726 . . . . 0.0 111.822 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -34.22 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 121.129 1.786 . . . . 0.0 113.205 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.16 -41.04 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 109.622 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -61.98 -27.49 68.9 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.031 1.333 . . . . 0.0 110.481 175.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -26.92 62.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.841 0.857 . . . . 0.0 110.005 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -62.56 -55.74 24.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 117.883 -1.056 . . . . 0.0 111.196 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 30' ' ' LEU . 7.8 ptp -65.77 -28.55 69.11 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.839 0.745 . . . . 0.0 112.066 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' OE1' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -62.29 -36.82 83.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 175.561 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.63 50.95 0.04 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.289 1.423 . . . . 0.0 113.931 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.17 90.01 2.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.534 1.167 . . . . 0.0 112.99 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.84 -37.25 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.554 1.142 . . . . 0.0 112.181 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.75 120.92 12.2 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.69 36.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 126.853 2.061 . . . . 0.0 106.708 160.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -117.72 -68.19 0.94 Allowed 'General case' 0 C--O 1.223 -0.338 0 O-C-N 120.776 -1.202 . . . . 0.0 108.772 170.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -60.55 3.62 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.146 1.339 . . . . 0.0 112.876 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -0.37 2.58 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.505 -1.372 . . . . 0.0 114.331 172.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.29 -12.03 18.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 116.148 -1.882 . . . . 0.0 111.282 173.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -25.89 6.81 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.557 1.981 . . . . 0.0 112.739 -168.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 45.9 mt-10 -57.81 -16.28 11.01 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.604 1.162 . . . . 0.0 113.973 173.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.75 16.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.512 1.505 . . . . 0.0 110.752 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -68.59 0.86 Allowed 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.306 1.443 . . . . 0.0 109.705 -172.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.07 -63.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 66.5 t30 -72.64 3.88 4.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.239 1.415 . . . . 0.0 112.868 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 32.5 tpt85 -62.15 -51.16 68.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.815 -1.178 . . . . 0.0 109.717 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.76 5.1 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.338 1.649 . . . . 0.0 112.027 -163.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.3 p 58.42 17.7 5.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.482 1.913 . . . . 0.0 113.079 -165.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.28 -24.39 0.87 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -161.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.518 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -64.26 177.18 0.88 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.192 1.397 . . . . 0.0 109.893 165.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -143.09 80.69 1.69 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.931 0.787 . . . . 0.0 110.354 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -66.81 172.37 4.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.53 0.332 . . . . 0.0 110.152 173.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 3.7 ttm 65.81 -47.27 0.4 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.883 2.073 . . . . 0.0 111.928 -175.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.252 54.4 p 56.93 -159.32 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.584 1.954 . . . . 0.0 111.17 -171.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.08 110.61 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 126.494 1.918 . . . . 0.0 110.435 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.2 17.41 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 127.451 2.3 . . . . 0.0 109.684 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 74.95 -71.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.613 2.365 . . . . 0.0 110.437 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.91 1.15 18.43 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -30.49 -78.26 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.97 2.908 . . . . 0.0 113.446 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -100.19 38.72 1.44 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.894 -1.128 . . . . 0.0 110.295 178.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -33.13 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.18 0.992 . . . . 0.0 110.166 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.13 -50.51 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 119.108 0.867 . . . . 0.0 111.426 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 15' ' ' LEU . 6.2 tt -60.42 -41.55 94.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 109.814 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -64.21 -14.97 58.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -104.82 1.1 28.76 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.511 1.524 . . . . 0.0 112.908 172.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -109.44 -68.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 126.626 1.97 . . . . 0.0 110.113 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.83 -66.56 0.91 Allowed 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -157.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -27.41 6.71 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.58 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -37.77 -47.52 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 126.326 1.851 . . . . 0.0 110.948 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.38 -44.49 1.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.77 0.428 . . . . 0.0 111.657 166.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 -58.01 -35.99 72.05 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -167.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -137.62 57.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 120.94 15.86 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -160.27 -174.13 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.43 1.892 . . . . 0.0 108.136 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 p -86.77 165.94 15.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.449 0.7 . . . . 0.0 109.685 154.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -76.57 90.84 3.34 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.153 -0.967 . . . . 0.0 111.668 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -120.51 -101.35 0.42 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.952 0.501 . . . . 0.0 110.8 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -46.82 56.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.577 1.551 . . . . 0.0 110.118 -174.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -61.08 -30.49 70.38 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.51 -0.744 . . . . 0.0 111.29 -177.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . . . -57.92 -29.44 65.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.76 1.224 . . . . 0.0 109.968 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -60.53 -20.85 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.464 1.484 . . . . 0.0 111.967 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -106.72 -22.79 12.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.369 -0.832 . . . . 0.0 111.315 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -59.65 -43.01 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-O 117.922 -1.037 . . . . 0.0 108.59 168.22 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.14 -23.8 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.911 1.687 . . . . 0.0 114.787 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.68 -28.36 19.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.097 1.759 . . . . 0.0 110.605 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 1.7 p-80 -55.85 -40.01 72.26 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.185 1.357 . . . . 0.0 110.386 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -8.18 43.2 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -46.88 11.23 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 119.72 1.146 . . . . 0.0 110.222 161.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mm -56.69 -22.82 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.767 1.627 . . . . 0.0 111.619 -169.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.04 -35.27 64.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.845 1.657 . . . . 0.0 111.633 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 1.1 mm? -107.65 50.24 0.78 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 120.3 1.409 . . . . 0.0 109.438 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.3 -40.29 37.26 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.906 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -159.36 -65.73 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.908 0.776 . . . . 0.0 110.78 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.6 163.13 32.85 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 129.689 3.196 . . . . 0.0 104.603 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -59.22 -33.66 71.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.436 1.471 . . . . 0.0 111.051 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -65.93 -76.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.831 2.452 . . . . 0.0 111.142 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.07 -23.13 44.53 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.381 1.072 . . . . 0.0 112.937 -171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.24 -85.0 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.647 1.979 . . . . 0.0 110.787 168.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.1 19.4 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.528 0.731 . . . . 0.0 111.971 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -54.78 -49.73 70.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.123 0.969 . . . . 0.0 111.152 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -67.9 -26.61 66.08 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 117.458 -1.258 . . . . 0.0 111.002 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.74 83.49 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.859 1.663 . . . . 0.0 111.201 173.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 -38.04 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 118.156 -0.926 . . . . 0.0 108.554 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -81.34 -21.27 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -168.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.6 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.077 -1.639 . . . . 0.0 109.672 158.253 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 31' ' ' TRP . 1.1 mp -72.42 -25.6 61.54 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.995 -166.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 p -60.43 -52.52 64.89 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.55 1.068 . . . . 0.0 111.752 169.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.76 -29.8 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -68.19 -27.49 66.44 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -21.38 60.1 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.228 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 p -57.42 -65.74 0.58 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.83 1.195 . . . . 0.0 110.218 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -65.44 -23.93 67.05 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.676 1.59 . . . . 0.0 111.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.22 75.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.347 1.927 . . . . 0.0 113.474 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.97 80.73 1.99 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.324 1.562 . . . . 0.0 110.224 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.45 -24.19 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 130.394 3.478 . . . . 0.0 116.617 -165.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.74 3.24 2.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.315 1.046 . . . . 0.0 111.432 -170.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.48 -21.66 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 O-C-N 120.229 -1.544 . . . . 0.0 111.459 -162.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -45.3 -54.7 6.78 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 118.256 0.48 . . . . 0.0 111.451 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -47.88 37.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.355 0.662 . . . . 0.0 111.276 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.37 -8.39 25.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.606 1.162 . . . . 0.0 112.913 -173.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.97 -32.43 8.75 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-O 115.423 -2.227 . . . . 0.0 108.005 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -32.85 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 122.877 2.581 . . . . 0.0 109.982 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.31 1.01 38.98 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.665 -1.272 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.25 -0.1 10.52 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 129.811 3.245 . . . . 0.0 109.859 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mt -128.68 -77.66 0.56 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.18 -40.16 95.1 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.209 -0.932 . . . . 0.0 108.868 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.27 -9.35 59.16 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -57.69 -52.53 65.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.822 1.249 . . . . 0.0 108.523 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.65 15.29 0.37 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 118.27 -0.872 . . . . 0.0 112.458 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.255 8.3 p 51.23 53.71 12.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.143 0.883 . . . . 0.0 110.762 -172.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 tp -162.39 -36.61 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.032 1.733 . . . . 0.0 112.945 165.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.564 0.746 . . . . 0.0 111.267 -177.841 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' HA3' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 N--CA 1.461 0.303 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -135.82 126.1 26.49 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 167.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m 36.67 23.65 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 129.214 3.006 . . . . 0.0 118.932 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 5' ' ' MET . 3.3 ptmm? -56.91 -27.71 61.11 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.337 1.881 . . . . 0.0 113.141 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -130.8 79.04 1.88 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 100.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.202 1.801 . . . . 0.0 108.798 162.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.41 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 128.002 2.521 . . . . 0.0 112.716 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.87 22.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 126.16 1.784 . . . . 0.0 108.483 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt 71.82 -74.52 0.09 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.426 2.69 . . . . 0.0 108.865 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 34.5 m -74.55 70.23 1.77 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.639 -0.663 . . . . 0.0 109.949 161.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 p -69.33 -79.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.448 1.099 . . . . 0.0 109.284 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.61 39.18 4.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.246 1.418 . . . . 0.0 109.837 -167.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 14.5 m -119.31 -48.85 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 110.178 -166.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 t -54.74 -62.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.092 0 C-N-CA 125.876 1.67 . . . . 0.0 110.012 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 58' ' ' LEU . 12.2 tp -65.16 -23.96 67.26 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.427 -0.796 . . . . 0.0 111.093 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.64 -11.33 60.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.623 1.969 . . . . 0.0 113.104 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -120.6 0.87 10.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.4 1.48 . . . . 0.0 112.861 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.68 -61.65 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 119.888 1.222 . . . . 0.0 111.407 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.61 -72.25 0.45 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.553 -1.276 . . . . 0.0 107.553 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.5 18.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -44.49 -41.19 6.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 127.714 2.405 . . . . 0.0 112.325 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.68 -10.24 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.654 1.182 . . . . 0.0 113.141 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.54 -46.99 7.04 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.0 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 31' ' ' TRP 0.267 79.6 t -98.77 -103.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 106.546 -1.649 . . . . 0.0 106.546 -173.222 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.283 2.2 pt-20 70.33 152.22 0.1 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 130.018 3.327 . . . . 0.0 112.153 -164.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 t 143.06 -115.75 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 131.25 3.82 . . . . 0.0 105.755 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -149.39 45.27 0.96 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.956 0.902 . . . . 0.0 110.461 -158.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m 42.85 64.62 1.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.347 1.459 . . . . 0.0 111.701 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -80.37 -100.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.966 0.906 . . . . 0.0 108.829 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -108.3 -27.84 9.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 123.424 0.69 . . . . 0.0 109.767 -173.169 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.526 ' CG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.41 -36.28 9.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.172 0.989 . . . . 0.0 111.485 175.377 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.56 65.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.295 1.838 . . . . 0.0 112.227 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.11 -34.63 72.24 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.871 1.268 . . . . 0.0 111.14 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.1 -24.09 21.21 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.917 -0.489 . . . . 0.0 111.844 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -39.21 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 119.338 0.972 . . . . 0.0 110.249 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -68.13 -14.55 63.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.2 1.0 . . . . 0.0 112.666 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -35.6 20.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 121.461 -0.775 . . . . 0.0 110.969 168.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -56.45 -40.26 74.53 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.166 1.348 . . . . 0.0 111.483 -176.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -10.48 59.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.183 0.993 . . . . 0.0 113.09 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' OD2' ' HA3' ' A' ' 1' ' ' GLY . 7.1 m-20 -90.3 -54.89 3.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 170.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -48.37 -12.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 128.695 2.798 . . . . 0.0 115.686 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -51.47 -27.79 11.42 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 121.857 2.117 . . . . 0.0 115.331 173.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' LEU . 25.2 mt -115.7 33.42 5.49 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.181 1.355 . . . . 0.0 111.422 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -84.35 128.18 34.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? 63.7 -81.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.44 1.096 . . . . 0.0 111.869 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -156.85 157.49 35.02 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 128.569 2.748 . . . . 0.0 106.581 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 m -53.4 -29.5 35.25 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.12 0.873 . . . . 0.0 113.138 -171.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -69.4 -75.06 0.12 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -19.36 63.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -50.52 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.21 2.604 . . . . 0.0 112.525 163.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -38.11 72.67 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -174.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 96.4 mt-10 -58.55 -42.18 87.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.535 1.934 . . . . 0.0 110.537 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.49 75.34 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 119.89 -1.756 . . . . 0.0 109.555 169.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.589 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -73.78 -24.21 59.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.709 1.203 . . . . 0.0 109.588 -169.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -89.76 -20.72 6.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 125.357 1.463 . . . . 0.0 110.967 171.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -77.76 -47.2 19.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.852 1.261 . . . . 0.0 111.907 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.8 -54.78 9.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.868 1.213 . . . . 0.0 111.239 169.622 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 31' ' ' TRP . 2.3 mp -73.55 0.48 12.45 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -56.17 5.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.228 0.922 . . . . 0.0 111.332 157.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -48.29 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.71 1.204 . . . . 0.0 109.877 -166.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.66 -23.43 63.07 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.903 2.081 . . . . 0.0 112.418 -175.336 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 58' ' ' LEU . 1.5 mm? -60.85 -22.16 63.96 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.051 -1.03 . . . . 0.0 112.047 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 p -41.7 -67.11 0.28 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.695 1.998 . . . . 0.0 111.462 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.0 ptm -75.28 -25.36 57.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 127.152 2.181 . . . . 0.0 112.352 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' CD ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -63.72 -25.76 68.34 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.018 0.527 . . . . 0.0 110.286 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.62 22.02 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 CA-C-O 117.504 -1.72 . . . . 0.0 113.322 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.41 95.77 4.58 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 120.798 2.299 . . . . 0.0 110.969 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.54 -30.4 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 118.335 0.516 . . . . 0.0 111.56 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.53 79.18 1.84 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -168.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -141.37 -28.89 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 118.129 -0.939 . . . . 0.0 111.273 152.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -63.32 1.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 120.062 1.301 . . . . 0.0 110.385 -168.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.57 77.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.697 0.76 . . . . 0.0 111.126 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 73' ' ' LEU . 6.1 mp -57.34 -30.48 64.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.124 1.369 . . . . 0.0 109.642 -173.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.96 -28.73 15.62 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.481 -1.247 . . . . 0.0 108.888 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 1.9 mt-10 -49.3 -39.8 32.41 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.563 1.074 . . . . 0.0 109.664 174.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.33 -23.6 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -46.02 12.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 116.886 -1.53 . . . . 0.0 110.076 169.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 2.2 pp -84.9 -40.25 17.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 120.018 1.281 . . . . 0.0 113.718 -162.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -53.14 61.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.4 -3.54 31.08 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.484 -1.385 . . . . 0.0 113.598 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.1 -54.29 22.77 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.9 18.67 0.59 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.889 1.276 . . . . 0.0 111.514 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.295 76.7 p 56.85 16.44 2.74 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.474 1.91 . . . . 0.0 114.305 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.73 -28.85 0.09 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.308 1.043 . . . . 0.0 111.775 -167.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.381 1.872 . . . . 0.0 112.38 175.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.818 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -68.49 99.57 0.98 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.417 -1.049 . . . . 0.0 112.273 -167.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m 60.6 166.82 0.08 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.353 2.261 . . . . 0.0 111.864 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -175.43 -171.99 0.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.538 3.135 . . . . 0.0 105.745 179.222 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.318 0.0 OUTLIER 72.29 104.05 0.07 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.133 0.968 . . . . 0.0 109.113 -169.153 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -72.41 -59.57 2.66 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.552 1.541 . . . . 0.0 109.06 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -148.7 104.87 3.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.374 1.47 . . . . 0.0 108.878 -157.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -144.06 101.25 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.946 1.698 . . . . 0.0 107.22 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -78.59 -11.01 59.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.704 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -138.3 95.34 2.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.013 2.125 . . . . 0.0 106.482 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -93.24 -91.6 0.18 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -87.52 38.96 0.85 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 120.46 -1.4 . . . . 0.0 111.205 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 14' ' ' VAL 0.252 35.9 m -120.66 -72.8 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.571 ' H ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -23.78 -63.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 129.82 3.248 . . . . 0.0 114.221 171.148 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 38' ' ' HIS . 24.5 tp -76.41 -26.61 55.71 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.33 -0.856 . . . . 0.0 112.958 -171.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.14 -48.07 83.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 166.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 m -66.96 -6.11 15.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.9 -29.01 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 119.906 1.23 . . . . 0.0 113.108 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -108.21 -77.53 0.6 Allowed 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 121.006 -1.059 . . . . 0.0 109.316 -173.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' H ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -48.26 -25.05 1.37 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.739 174.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -28.92 -47.34 0.05 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 128.544 2.738 . . . . 0.0 110.503 170.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.455 0.0 OUTLIER -142.66 -10.86 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 117.195 2.295 . . . . 0.0 117.195 160.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.03 -34.68 20.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.37 1.441 . . . . 0.0 112.897 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' H ' ' HA ' ' A' ' 20' ' ' GLN . 7.5 p -142.76 52.27 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 124.404 1.065 . . . . 0.0 112.195 -167.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -82.91 177.55 8.58 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.265 -1.522 . . . . 0.0 114.78 -172.12 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.435 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 1.8 t 51.37 73.31 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 129.1 2.96 . . . . 0.0 110.951 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -159.53 155.87 27.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -159.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -168.49 17.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.326 1.451 . . . . 0.0 113.365 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 -100.74 0.43 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.516 1.507 . . . . 0.0 112.448 -165.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 -46.38 77.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.44 1.473 . . . . 0.0 110.976 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.494 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -60.31 -40.49 90.73 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.86 81.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.648 1.579 . . . . 0.0 111.323 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -12.42 4.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.923 1.689 . . . . 0.0 112.516 172.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 t -110.68 -23.44 11.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.943 1.297 . . . . 0.0 112.858 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -39.91 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 170.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -51.79 -46.16 64.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.603 1.092 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -29.21 64.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.608 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.53 -31.73 56.82 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.799 1.181 . . . . 0.0 111.463 176.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 122.288 1.042 . . . . 0.0 110.395 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -64.74 -43.51 93.13 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.333 1.053 . . . . 0.0 110.363 174.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 22.8 mm -60.7 -20.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-O 116.176 -1.869 . . . . 0.0 111.564 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -32.86 59.88 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 122.189 2.268 . . . . 0.0 112.573 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.278 2.3 mp -105.03 42.02 1.27 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.912 1.233 . . . . 0.0 110.265 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.46 93.7 8.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.253 11.6 tmtt? 71.15 -70.6 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.061 1.745 . . . . 0.0 110.67 -174.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.78 163.18 38.67 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.125 1.37 . . . . 0.0 108.646 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -49.15 -36.43 19.26 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.376 1.87 . . . . 0.0 113.029 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.0 m -74.18 -70.72 0.37 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.894 1.277 . . . . 0.0 110.315 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.26 -25.14 65.46 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 111.494 -171.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -55.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 127.305 2.242 . . . . 0.0 111.714 165.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -34.45 55.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.505 0.322 . . . . 0.0 111.412 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 2.9 mm-40 -52.36 -61.65 2.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.473 1.509 . . . . 0.0 109.488 171.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.51 -28.2 69.14 Favored 'General case' 0 C--N 1.333 -0.133 0 O-C-N 120.869 -1.145 . . . . 0.0 111.844 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.643 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.99 -22.85 64.06 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.629 1.104 . . . . 0.0 110.471 -174.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -82.0 -37.48 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.717 1.607 . . . . 0.0 107.717 170.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -60.21 -45.35 93.48 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -50.01 -50.43 47.37 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.447 172.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mt -70.16 -18.2 63.2 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.344 -175.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -56.15 19.23 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.856 1.207 . . . . 0.0 110.28 167.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.26 -29.0 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-O 122.24 1.019 . . . . 0.0 110.962 -170.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.37 -31.28 70.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.213 -1.554 . . . . 0.0 110.643 173.004 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -63.42 -28.98 70.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 120.45 1.477 . . . . 0.0 108.478 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -58.96 -55.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 22.2 ptp -68.32 -28.73 67.41 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 123.138 0.575 . . . . 0.0 112.212 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -34.85 78.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.09 49.45 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-O 118.533 -1.148 . . . . 0.0 112.358 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.33 90.84 2.34 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.649 1.725 . . . . 0.0 112.039 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.2 -32.23 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.331 -0.856 . . . . 0.0 112.848 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -134.63 90.66 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 127.777 2.431 . . . . 0.0 105.701 -171.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 62' ' ' LEU . 6.0 tp -155.67 17.36 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 121.625 -0.672 . . . . 0.0 112.065 167.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -92.59 -72.77 0.58 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -72.97 -33.5 65.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -163.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.07 -1.69 49.38 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.507 1.123 . . . . 0.0 110.248 172.405 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 t -97.85 -41.43 8.04 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 116.37 -1.776 . . . . 0.0 106.413 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -26.54 -40.93 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 130.775 3.63 . . . . 0.0 115.903 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.36 -16.39 2.2 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.137 -1.602 . . . . 0.0 115.2 170.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -6.62 22.33 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.087 1.755 . . . . 0.0 111.365 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -124.14 -69.62 0.8 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 107.915 -173.518 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.09 -48.68 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.946 1.298 . . . . 0.0 108.559 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -5.32 44.1 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.983 -1.073 . . . . 0.0 112.437 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -60.91 -50.55 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 119.893 -1.754 . . . . 0.0 108.574 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.04 5.1 0.28 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 124.286 0.991 . . . . 0.0 112.848 -175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.2 p 44.56 43.58 6.56 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.602 1.092 . . . . 0.0 111.501 -155.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -50.92 0.53 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 116.844 -1.551 . . . . 0.0 111.674 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.87 0 C-N-CA 125.748 1.619 . . . . 0.0 110.064 175.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.16 166.89 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 127.728 2.411 . . . . 0.0 113.896 -168.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 44.12 100.65 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 C-N-CA 127.996 2.519 . . . . 0.0 113.473 -171.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HE2' ' CB ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -149.6 -156.42 0.72 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 172.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 tpt -22.86 83.79 0.0 OUTLIER 'General case' 0 C--O 1.235 0.341 1 C-N-CA 131.806 4.043 . . . . 0.0 111.615 -169.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -90.1 -83.55 0.25 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -122.95 104.27 9.14 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.556 1.942 . . . . 0.0 106.834 -166.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 5.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 112.161 -2.29 . . . . 0.0 108.382 -165.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 71.62 -36.07 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 129.717 3.207 . . . . 0.0 111.356 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 9.0 p -81.14 -96.68 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 123.828 0.851 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.371 0.5 OUTLIER 45.13 -91.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.564 2.346 . . . . 0.0 111.115 -170.129 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.428 ' H ' ' CG2' ' A' ' 11' ' ' THR . 3.1 p -82.35 49.85 1.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.924 1.689 . . . . 0.0 112.098 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 10' ' ' CYS . 19.2 m -120.18 -52.59 3.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 161.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 m -48.5 -62.29 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 124.265 1.026 . . . . 0.0 111.911 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.31 -25.83 64.43 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.448 -1.408 . . . . 0.0 111.877 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.48 -2.91 34.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.81 2.044 . . . . 0.0 112.946 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -120.63 -5.59 9.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.554 1.942 . . . . 0.0 110.523 174.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -120.98 -35.44 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.38 -67.84 0.84 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.451 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -51.86 -34.05 39.16 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -34.54 -48.1 0.35 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.31 2.244 . . . . 0.0 111.818 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.13 -32.18 0.96 Allowed 'General case' 0 C--N 1.34 0.193 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -81.99 -55.11 4.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.839 1.2 . . . . 0.0 110.176 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.499 ' HB ' HD13 ' A' ' 62' ' ' LEU . 2.9 p -107.29 55.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 125.496 1.519 . . . . 0.0 107.275 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.2 67.22 3.97 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.256 -174.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.6 157.09 44.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.874 1.67 . . . . 0.0 109.757 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 p -86.1 8.72 19.69 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.94 2.896 . . . . 0.0 113.649 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -71.79 178.15 3.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.376 1.071 . . . . 0.0 112.775 -160.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.16 -26.86 13.2 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.824 -1.173 . . . . 0.0 111.51 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.8 -49.26 77.21 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.593 1.088 . . . . 0.0 110.187 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.485 ' NE1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.01 -38.74 82.97 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.543 -0.723 . . . . 0.0 111.134 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.29 75.71 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.728 1.211 . . . . 0.0 110.602 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -13.79 5.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.585 1.954 . . . . 0.0 113.3 173.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.93 -27.47 11.68 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 120.207 1.367 . . . . 0.0 111.768 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.95 -34.47 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.082 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.87 -42.42 65.24 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.052 0.842 . . . . 0.0 111.916 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -41.19 79.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.87 -1.144 . . . . 0.0 110.42 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -34.48 57.78 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.82 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.87 -44.59 91.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.861 0.755 . . . . 0.0 109.681 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.51 74.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.917 1.287 . . . . 0.0 109.626 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.9 -16.42 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 O-C-N 119.608 -1.932 . . . . 0.0 111.986 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -26.14 60.47 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.988 2.177 . . . . 0.0 113.633 174.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -116.99 46.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.576 0.703 . . . . 0.0 110.117 174.185 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.44 24.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.338 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -141.91 -71.56 0.34 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.41 156.05 49.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.148 2.179 . . . . 0.0 106.121 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -51.55 -31.41 24.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.678 2.391 . . . . 0.0 112.998 -173.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m -68.45 -80.29 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.696 1.998 . . . . 0.0 109.314 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -28.33 37.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.437 1.495 . . . . 0.0 112.699 -171.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.64 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.878 2.071 . . . . 0.0 110.668 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -36.64 55.43 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.353 0.661 . . . . 0.0 111.204 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -52.92 -61.43 2.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.891 0.876 . . . . 0.0 109.769 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -62.23 -29.14 70.18 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 120.697 -1.252 . . . . 0.0 110.724 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.81 70.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.236 1.414 . . . . 0.0 109.015 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 t -76.69 -44.74 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.622 1.569 . . . . 0.0 109.055 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.9 p -53.66 -50.69 65.23 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.742 0.701 . . . . 0.0 112.493 -168.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -51.33 8.82 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.901 1.281 . . . . 0.0 111.577 173.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' NE1' ' A' ' 31' ' ' TRP . 1.2 mp -71.48 -21.94 61.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.546 -170.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 81.5 p -64.2 -52.11 60.48 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 119.145 0.884 . . . . 0.0 110.745 173.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.75 -40.54 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.54 -29.8 69.37 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.094 1.358 . . . . 0.0 111.617 175.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HB ' ' A' ' 24' ' ' VAL . 22.0 tp -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 120.476 1.489 . . . . 0.0 109.879 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 m -55.82 -65.82 0.53 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.418 1.008 . . . . 0.0 110.469 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.5 ptp -63.35 -26.15 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.678 0.791 . . . . 0.0 112.798 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -26.31 64.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.604 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.23 26.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.763 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.847 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.96 112.7 19.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 120.976 2.388 . . . . 0.0 111.468 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.71 -35.0 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.52 170.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -152.62 86.55 1.27 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.8 tp -129.21 -36.23 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 117.123 -1.417 . . . . 0.0 110.392 157.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -42.54 -68.16 0.21 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.334 1.454 . . . . 0.0 110.963 -169.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.28 -38.05 86.88 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.672 -0.642 . . . . 0.0 112.645 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.5 mp -68.01 -7.56 30.08 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.331 1.852 . . . . 0.0 111.334 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.97 -38.68 5.27 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.44 -30.11 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 121.437 1.926 . . . . 0.0 112.75 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.86 -30.62 65.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.233 -1.542 . . . . 0.0 111.083 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 ttt -83.35 1.38 41.56 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 127.241 2.216 . . . . 0.0 112.049 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -125.21 -52.81 1.63 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.788 1.235 . . . . 0.0 111.032 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -71.91 -74.24 0.16 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -69.2 8.47 0.57 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.091 -1.631 . . . . 0.0 114.18 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 tpt85 -56.41 -57.89 10.37 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.691 1.596 . . . . 0.0 111.143 158.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.49 17.43 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.966 2.107 . . . . 0.0 111.608 -161.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.28 2.2 p 54.69 45.98 25.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.706 2.802 . . . . 0.0 113.219 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.39 -36.77 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.977 0.911 . . . . 0.0 110.487 -163.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 179.72 8.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.847 1.259 . . . . 0.0 107.877 167.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 42.07 80.85 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.179 1.792 . . . . 0.0 113.914 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -139.85 -23.78 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 2.1 tpt -141.81 80.61 1.73 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 103.667 -2.716 . . . . 0.0 103.667 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -68.05 -80.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.107 1.363 . . . . 0.0 110.532 -174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -147.93 145.72 28.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -145.85 11.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 C-N-CA 129.234 3.014 . . . . 0.0 106.177 -158.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 73.32 -26.35 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 130.614 3.566 . . . . 0.0 112.294 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.6 m -135.65 52.3 2.01 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.683 1.593 . . . . 0.0 109.963 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.1 p -77.94 -86.16 0.06 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.067 -1.021 . . . . 0.0 109.417 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 38.08 0.68 Allowed 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.861 -1.149 . . . . 0.0 110.377 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 m -106.57 -23.79 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.922 1.289 . . . . 0.0 108.07 169.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -69.18 -75.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.075 2.15 . . . . 0.0 108.345 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 58' ' ' LEU . 25.6 tp -62.66 -29.17 70.44 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.253 -0.904 . . . . 0.0 112.599 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 mt -69.9 -17.52 63.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.329 0.651 . . . . 0.0 112.746 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -93.98 -4.7 49.18 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.966 0.907 . . . . 0.0 112.049 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.99 -67.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 119.874 1.215 . . . . 0.0 110.549 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -70.5 0.29 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -171.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.69 -22.9 48.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 125.045 1.338 . . . . 0.0 113.556 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -44.59 -33.27 1.72 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.816 2.046 . . . . 0.0 111.807 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -148.3 -28.04 0.32 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 162.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -74.29 -37.89 63.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.85 0.75 . . . . 0.0 112.129 -164.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.6 60.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.382 1.473 . . . . 0.0 108.03 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.47 158.44 4.37 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 112.253 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CH2' ' A' ' 31' ' ' TRP . 79.1 p -58.9 4.28 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.502 3.121 . . . . 0.0 118.489 -151.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 t -85.1 -2.0 57.5 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -150.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -156.13 133.6 10.88 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 122.729 2.513 . . . . 0.0 113.261 -169.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.57 -36.66 81.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.865 2.066 . . . . 0.0 114.827 -167.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.21 73.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.564 1.075 . . . . 0.0 110.773 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.513 ' HE1' HD21 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.73 -44.08 90.37 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.494 -0.754 . . . . 0.0 109.597 177.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -29.65 70.66 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.686 1.594 . . . . 0.0 112.571 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.38 -13.89 59.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.003 0.921 . . . . 0.0 111.349 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -27.96 12.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 125.419 1.488 . . . . 0.0 112.323 167.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.17 -39.85 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.05 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.81 -43.92 66.27 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 120.288 1.404 . . . . 0.0 111.805 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.68 91.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.755 1.222 . . . . 0.0 110.745 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -34.0 37.61 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.849 1.204 . . . . 0.0 112.864 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.86 -28.42 69.54 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.539 1.638 . . . . 0.0 110.978 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.585 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -88.58 -34.97 17.14 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.855 -1.153 . . . . 0.0 110.687 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.03 -17.91 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 125.438 1.495 . . . . 0.0 112.453 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -19.71 9.04 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 122.091 2.223 . . . . 0.0 113.171 170.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.47 HD12 ' HE2' ' A' ' 4' ' ' LYS . 62.4 mt -118.77 43.44 2.54 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.747 2.419 . . . . 0.0 111.279 173.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -80.12 -15.69 56.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.53 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -167.73 -65.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 171.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -156.16 168.94 25.7 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 128.722 2.809 . . . . 0.0 107.11 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -48.75 -47.5 41.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.147 1.779 . . . . 0.0 113.787 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 m -64.59 -68.04 0.39 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.097 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.6 -40.73 13.4 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.834 1.654 . . . . 0.0 112.112 -174.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -57.95 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 128.391 2.676 . . . . 0.0 110.67 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -27.41 64.49 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.404 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -57.52 -51.79 68.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 119.96 -1.712 . . . . 0.0 110.248 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -77.01 -22.39 53.17 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.808 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 ttm -51.98 -45.94 64.67 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.141 1.776 . . . . 0.0 111.356 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.42 -36.33 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.0 m -63.17 -54.79 32.2 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 117.223 -1.37 . . . . 0.0 112.095 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -61.12 1.06 Allowed 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 124.598 1.159 . . . . 0.0 110.286 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -66.36 -21.99 66.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.777 -1.106 . . . . 0.0 113.285 -171.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.8 m -70.57 -48.31 55.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.216 0.917 . . . . 0.0 111.299 170.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -67.57 -44.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 121.276 -0.89 . . . . 0.0 108.995 -177.35 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -57.97 -27.19 63.22 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.435 2.294 . . . . 0.0 110.934 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.06 -22.69 64.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.526 1.057 . . . . 0.0 109.662 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -56.36 -56.59 19.2 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.661 1.184 . . . . 0.0 110.503 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.4 ptm -73.3 -25.4 60.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.919 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -24.57 64.77 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.659 0.6 . . . . 0.0 109.602 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 31.11 0.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.806 1.193 . . . . 0.0 114.399 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.28 54.7 1.44 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 119.117 1.458 . . . . 0.0 109.372 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -56.11 -18.85 6.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.176 -0.953 . . . . 0.0 113.1 -167.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.95 86.94 2.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.53 1.532 . . . . 0.0 108.037 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.1 tp -145.02 19.83 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.303 1.441 . . . . 0.0 111.673 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -120.06 -47.31 2.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 O-C-N 121.131 -0.981 . . . . 0.0 109.876 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -72.53 -64.8 0.88 Allowed 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.725 0.81 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -68.1 0.49 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 173.222 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.49 -6.75 20.34 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 116.006 -1.949 . . . . 0.0 109.629 171.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -26.69 34.89 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 122.252 2.296 . . . . 0.0 111.503 -171.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.96 -12.12 3.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.982 1.713 . . . . 0.0 112.986 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.3 mtp -121.5 -4.46 9.32 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 111.023 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -67.28 0.94 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.828 2.051 . . . . 0.0 108.815 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -57.72 11.67 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 108.218 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -65.72 -5.89 9.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.969 1.308 . . . . 0.0 113.389 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -68.82 -41.69 78.24 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.529 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -159.21 13.95 0.15 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 167.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p 54.29 46.31 25.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.192 1.797 . . . . 0.0 112.997 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.68 -36.07 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.408 HE22 ' HB3' ' A' ' 82' ' ' ALA . 16.2 mp0 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.6 2.36 . . . . 0.0 112.642 -167.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.917 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 178.92 -63.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.035 2.134 . . . . 0.0 108.033 163.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 59.1 115.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.612 1.965 . . . . 0.0 111.506 -168.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -28.49 17.88 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.488 -0.758 . . . . 0.0 112.306 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.59 87.23 1.92 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -66.04 -62.25 1.59 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -167.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -143.04 109.49 5.37 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 103.282 -2.859 . . . . 0.0 103.282 -166.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.01 5.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 124.096 0.959 . . . . 0.0 108.585 -155.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp 78.18 -31.7 0.16 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.306 2.642 . . . . 0.0 109.808 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 13' ' ' VAL . 81.1 m -69.39 -107.05 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.323 -1.322 . . . . 0.0 109.884 144.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.276 98.7 m 56.47 -105.24 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.011 -164.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.36 60.94 5.94 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.887 2.13 . . . . 0.0 110.347 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 10' ' ' CYS 0.29 3.6 m -120.6 -75.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 118.386 -0.816 . . . . 0.0 108.954 160.455 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 1.0 OUTLIER -53.59 -53.15 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 119.473 1.033 . . . . 0.0 111.863 -163.501 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD21 HD22 ' A' ' 58' ' ' LEU . 5.4 tt -60.85 -41.66 96.28 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 1.4 mp -64.97 -13.62 57.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.78 0.832 . . . . 0.0 113.092 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -105.82 0.7 26.26 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.964 1.706 . . . . 0.0 111.715 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -115.41 -65.51 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 110.093 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.76 -65.31 1.03 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -165.322 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.33 -25.02 5.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.741 172.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.641 ' O ' HD22 ' A' ' 22' ' ' LEU . 13.9 tm0? -32.42 -56.41 0.34 Allowed 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 128.986 2.914 . . . . 0.0 108.749 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -138.02 -5.85 1.66 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 125.318 1.636 . . . . 0.0 114.307 171.19 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -45.62 13.53 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 120.594 1.543 . . . . 0.0 110.257 -172.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -139.86 63.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 126.948 2.099 . . . . 0.0 106.233 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -31.54 45.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.53 1.132 . . . . 0.0 111.089 -177.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 p 153.8 163.47 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 130.142 3.377 . . . . 0.0 110.033 144.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m -125.9 -59.56 1.34 Allowed 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 164.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -147.47 -177.42 5.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.305 1.05 . . . . 0.0 112.846 -169.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.32 -10.81 0.98 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.126 164.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.09 -63.78 1.1 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.672 1.578 . . . . 0.0 109.896 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -42.01 63.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.769 0.795 . . . . 0.0 110.193 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.23 70.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.939 0.896 . . . . 0.0 111.914 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.73 -12.2 15.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.68 0.792 . . . . 0.0 112.217 172.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -26.83 8.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.17 1.388 . . . . 0.0 110.942 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.56 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.646 169.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 2.2 pt20 -63.7 -72.91 0.13 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 121.258 1.844 . . . . 0.0 110.666 167.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -53.7 -26.87 24.88 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 127.866 2.466 . . . . 0.0 113.236 -167.06 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -49.57 -33.98 16.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.943 0.792 . . . . 0.0 112.806 173.096 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -68.84 -31.67 70.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.069 1.347 . . . . 0.0 111.482 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.43 -52.77 23.69 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mm -49.54 -24.24 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 127.832 2.453 . . . . 0.0 114.887 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.424 ' H ' HD22 ' A' ' 42' ' ' LEU . 1.4 mm? -60.89 -19.15 59.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 123.371 2.805 . . . . 0.0 113.01 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 43' ' ' LEU . 1.2 mp -118.13 42.93 2.57 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 119.488 1.04 . . . . 0.0 109.775 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.13 -62.54 1.36 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.802 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -128.93 -61.03 1.07 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.132 0.573 . . . . 0.0 110.906 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -153.08 166.88 31.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.3 m -50.5 -38.34 43.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.117 1.367 . . . . 0.0 112.291 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -73.44 -69.72 0.41 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.609 0.641 . . . . 0.0 109.802 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -61.73 -24.7 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.757 0.789 . . . . 0.0 112.259 -163.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.5 -75.34 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.092 2.557 . . . . 0.0 111.741 166.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -40.39 54.35 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.158 0.583 . . . . 0.0 109.797 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.0 -50.49 68.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.099 0.559 . . . . 0.0 109.892 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -68.1 -26.02 65.61 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.651 -0.656 . . . . 0.0 112.091 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -36.15 68.19 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.906 0.775 . . . . 0.0 111.144 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HD23 ' A' ' 19' ' ' LEU . 3.3 t -70.2 -43.36 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.481 173.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -40.92 89.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.162 1.347 . . . . 0.0 114.037 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -55.52 8.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 118.166 0.439 . . . . 0.0 109.887 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD22 HD21 ' A' ' 15' ' ' LEU . 1.7 mp -69.54 -31.18 69.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.754 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -54.48 -55.34 29.97 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.172 0.897 . . . . 0.0 110.183 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.42 -25.1 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 122.928 0.491 . . . . 0.0 110.513 -171.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -71.9 -32.23 67.19 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.951 1.7 . . . . 0.0 111.487 176.071 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -30.38 60.34 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.522 1.51 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 t -52.42 -63.51 1.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.829 1.652 . . . . 0.0 109.754 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.4 ptm -68.82 -25.25 64.58 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.01 0.524 . . . . 0.0 111.54 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -9.38 42.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.764 0.826 . . . . 0.0 111.173 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.45 36.27 1.95 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 124.337 0.97 . . . . 0.0 111.969 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.56 157.23 17.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.374 1.087 . . . . 0.0 108.465 164.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.55 -50.79 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 159.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.23 42.21 1.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.295 1.438 . . . . 0.0 110.242 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.34 -54.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 CA-C-O 116.166 -1.873 . . . . 0.0 107.516 161.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -38.11 -68.0 0.17 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.184 1.811 . . . . 0.0 113.39 -165.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -78.22 -27.41 47.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.235 0.925 . . . . 0.0 113.294 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -66.9 -10.3 47.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.078 0.551 . . . . 0.0 110.154 171.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.429 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.9 t -111.86 -32.19 6.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.7 -35.26 30.25 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 120.554 1.525 . . . . 0.0 111.001 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.75 -54.03 32.62 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 123.321 1.534 . . . . 0.0 109.475 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.15 2.65 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 128.14 2.576 . . . . 0.0 115.508 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 74' ' ' CYS . 2.9 pp -140.67 -53.1 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.056 1.298 . . . . 0.0 111.025 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.13 -30.72 66.85 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.265 -1.522 . . . . 0.0 111.118 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -93.38 1.34 56.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 119.477 -2.014 . . . . 0.0 111.925 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -61.92 2.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 161.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.95 15.4 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.31 -158.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.308 25.2 p 54.74 26.32 7.46 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 -27.27 0.97 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.229 1.412 . . . . 0.0 114.387 -169.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 116.357 -1.782 . . . . 0.0 113.134 -158.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -137.87 -53.02 0.64 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.722 1.209 . . . . 0.0 108.8 164.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -165.07 17.45 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.734 0.814 . . . . 0.0 112.559 -160.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -76.51 156.63 32.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.997 -1.065 . . . . 0.0 108.819 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.19 49.29 20.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.178 1.391 . . . . 0.0 111.541 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -63.55 -65.38 0.69 Allowed 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 124.87 1.268 . . . . 0.0 111.792 -165.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -146.3 104.91 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.492 1.917 . . . . 0.0 107.681 -162.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 9.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.727 -155.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp 72.82 -27.05 0.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.176 2.591 . . . . 0.0 113.287 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' HA ' HG22 ' A' ' 13' ' ' VAL . 64.7 m -129.49 1.24 5.03 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.751 1.62 . . . . 0.0 112.218 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -48.35 -55.24 11.24 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 125.816 1.647 . . . . 0.0 109.255 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -105.52 37.68 2.16 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.531 0.732 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.2 m -119.66 -40.75 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 120.712 -1.243 . . . . 0.0 111.285 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.294 23.0 m -57.58 -51.39 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 119.327 0.967 . . . . 0.0 112.38 -167.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.35 -30.14 60.16 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.696 -1.252 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.4 -8.02 7.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.984 0.914 . . . . 0.0 112.613 168.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -120.75 1.03 10.49 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.985 1.314 . . . . 0.0 111.977 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.67 -24.67 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -70.72 0.78 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 118.666 0.666 . . . . 0.0 109.785 -172.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -21.43 3.84 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 172.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -44.69 -34.4 2.21 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.448 1.499 . . . . 0.0 110.906 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.72 -61.38 0.54 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.853 1.661 . . . . 0.0 111.056 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.29 66.36 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -160.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.252 7.7 p -136.81 48.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 124.019 0.928 . . . . 0.0 110.65 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -12.18 61.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.31 0.644 . . . . 0.0 110.425 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 87.26 0.3 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 166.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.3 m -60.27 153.51 22.24 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.503 -0.748 . . . . 0.0 110.162 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 t -162.03 -169.91 2.35 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.592 2.757 . . . . 0.0 104.794 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -92.47 -11.5 34.51 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.792 -1.099 . . . . 0.0 112.109 155.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD11 ' SD ' ' A' ' 64' ' ' MET . 20.9 tp -62.46 -67.54 0.41 Allowed 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.556 1.071 . . . . 0.0 110.695 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -37.28 63.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.397 -0.814 . . . . 0.0 110.788 175.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.77 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.636 0.774 . . . . 0.0 110.757 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.54 -21.46 65.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.5 1.52 . . . . 0.0 112.967 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.7 -45.25 14.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 119.678 1.126 . . . . 0.0 110.874 158.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -52.96 -38.56 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.925 -166.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.15 -14.7 0.46 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.38 -29.39 10.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.198 2.199 . . . . 0.0 110.388 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -53.14 -37.3 61.7 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 122.519 2.418 . . . . 0.0 113.074 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -63.15 -27.24 69.24 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.673 1.589 . . . . 0.0 110.795 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.0 t0 -79.86 -44.7 20.01 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.448 1.099 . . . . 0.0 110.488 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 14.0 mm -57.53 -15.27 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 128.298 2.639 . . . . 0.0 112.041 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -22.55 60.01 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 122.437 2.38 . . . . 0.0 113.059 174.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.75 53.96 1.24 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.927 1.691 . . . . 0.0 107.777 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -68.27 -47.61 67.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.33 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 -68.74 0.25 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.944 1.298 . . . . 0.0 107.986 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -133.15 158.29 43.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.788 2.035 . . . . 0.0 107.571 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -53.85 -34.49 59.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.715 1.143 . . . . 0.0 113.403 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.0 m -77.77 -68.51 0.62 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.616 0.766 . . . . 0.0 109.129 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.81 -14.37 21.29 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.481 1.113 . . . . 0.0 112.719 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -63.76 -75.8 0.08 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.245 2.618 . . . . 0.0 113.047 162.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -34.83 70.29 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.058 -0.401 . . . . 0.0 110.156 -173.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -53.01 -50.73 63.62 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.267 1.027 . . . . 0.0 109.724 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.52 -36.85 83.88 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.009 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.56 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.3 ttt -52.74 -17.6 1.42 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.468 2.707 . . . . 0.0 112.523 170.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.64 -24.77 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 O-C-N 119.874 -1.766 . . . . 0.0 108.135 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -59.97 4.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 126.13 1.772 . . . . 0.0 114.317 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -47.7 -53.59 14.61 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 126.055 1.742 . . . . 0.0 112.06 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' H ' HD12 ' A' ' 57' ' ' LEU 0.287 3.7 mp -58.01 -36.57 72.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 117.058 -1.857 . . . . 0.0 112.224 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -1.15 4.7 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 p -120.22 -31.01 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 122.257 2.299 . . . . 0.0 111.831 169.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -56.9 -34.88 68.36 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.741 -1.225 . . . . 0.0 108.855 164.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.85 -15.72 13.9 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.213 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 65.5 m -55.76 -12.28 1.25 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.104 1.362 . . . . 0.0 114.347 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 30' ' ' LEU . 2.3 ptt? -120.11 -33.42 3.94 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.603 1.561 . . . . 0.0 113.368 171.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -56.63 -42.18 78.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.936 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.8 68.2 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -150.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 63' ' ' SER . . . -108.76 -138.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.736 1.614 . . . . 0.0 109.866 166.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.402 0.9 OUTLIER 57.66 -30.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 1 C-N-CA 131.977 4.111 . . . . 0.0 113.046 -162.094 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -120.62 66.2 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 128.5 2.72 . . . . 0.0 106.356 167.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tp -140.82 6.6 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 165.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -81.18 -71.1 0.49 Allowed 'General case' 0 C--O 1.222 -0.354 0 O-C-N 120.46 -1.4 . . . . 0.0 108.494 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.5 -53.02 25.94 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.933 . . . . 0.0 112.768 -165.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -66.23 1.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.978 174.256 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.0 t -116.38 -17.33 10.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 120.39 1.45 . . . . 0.0 112.524 168.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -28.72 65.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 121.649 2.022 . . . . 0.0 110.053 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.8 -4.47 37.89 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 mtt -121.13 -0.56 9.94 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.142 3.377 . . . . 0.0 112.904 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.19 -71.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 -174.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -48.86 79.02 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.292 1.037 . . . . 0.0 108.389 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.05 -0.6 19.5 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.258 1.423 . . . . 0.0 113.848 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -71.48 -46.29 60.25 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.653 -1.279 . . . . 0.0 109.77 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.525 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -164.98 21.94 0.05 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.889 1.675 . . . . 0.0 111.26 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.6 p 49.55 53.75 12.17 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.246 1.418 . . . . 0.0 112.837 -172.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tp -154.51 -32.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.525 HE22 ' HB3' ' A' ' 82' ' ' ALA . 26.7 mp0 . . . . . 0 C--O 1.247 0.941 0 C-N-CA 129.547 3.139 . . . . 0.0 110.805 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.981 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.6 m80 63.32 86.34 0.12 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.574 1.95 . . . . 0.0 110.547 -160.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -135.99 146.31 47.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 162.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.88 3.9 47.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.593 1.157 . . . . 0.0 112.211 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -138.19 95.02 2.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 107.367 -161.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.253 1.5 p -66.18 64.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.482 3.513 . . . . 0.0 113.81 -173.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 80.46 130.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 1 C-N-CA 132.183 4.193 . . . . 0.0 110.122 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.15 101.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 124.172 1.939 . . . . 0.0 106.657 -175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -76.65 15.67 0.6 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.175 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.7 m -134.73 -82.12 0.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.774 1.63 . . . . 0.0 109.97 -168.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.267 54.3 m 64.49 -103.59 0.11 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.864 -1.065 . . . . 0.0 109.53 174.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -89.32 38.2 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.506 1.957 . . . . 0.0 111.733 -173.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 m -108.89 -53.11 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.089 -1.007 . . . . 0.0 110.505 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.17 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 125.348 1.459 . . . . 0.0 110.458 -169.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.1 tt -63.57 -36.32 83.42 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.864 -0.523 . . . . 0.0 109.888 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 20' ' ' GLN . 4.0 mp -64.76 -17.89 64.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.241 1.016 . . . . 0.0 111.078 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -100.97 0.61 38.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.86 2.064 . . . . 0.0 112.794 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -116.66 -73.42 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 124.929 1.292 . . . . 0.0 110.242 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -90.66 -64.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -161.002 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.24 -25.6 34.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.394 173.206 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -35.83 -41.61 0.23 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.166 2.586 . . . . 0.0 112.013 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -34.36 0.93 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.336 1.054 . . . . 0.0 112.48 173.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -77.97 0.09 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 119.427 1.012 . . . . 0.0 109.122 -171.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.84 54.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.614 1.165 . . . . 0.0 109.435 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.09 -24.31 53.11 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -173.67 162.48 4.11 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 127.688 2.395 . . . . 0.0 107.99 152.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -175.54 121.45 0.19 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 156.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 19.9 t 54.23 -163.46 0.11 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.237 1.415 . . . . 0.0 111.595 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -85.21 -2.01 57.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 117.887 -1.054 . . . . 0.0 111.297 151.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -46.01 -68.31 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.775 1.63 . . . . 0.0 110.033 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.441 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.839 0.828 . . . . 0.0 110.415 -177.499 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.23 -28.13 69.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.655 1.582 . . . . 0.0 111.954 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -32.42 70.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.399 1.079 . . . . 0.0 111.436 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.05 -32.06 20.18 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.503 1.047 . . . . 0.0 110.521 168.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.27 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-O 117.216 -1.373 . . . . 0.0 111.957 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.97 -70.77 0.25 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.026 1.739 . . . . 0.0 109.558 165.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -28.21 13.67 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 127.438 2.295 . . . . 0.0 113.613 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -52.32 -25.02 8.53 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 121.338 1.881 . . . . 0.0 112.81 170.537 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.1 t30 -65.62 -43.62 88.97 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.082 1.353 . . . . 0.0 110.349 172.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.63 -11.49 60.87 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 119.95 -1.719 . . . . 0.0 111.116 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.75 -15.04 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 119.912 -1.743 . . . . 0.0 111.567 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -55.42 -33.37 63.49 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 122.446 2.384 . . . . 0.0 111.308 -178.788 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -113.23 56.43 0.69 Allowed 'General case' 0 C--N 1.342 0.245 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.24 -36.24 24.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.52 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.59 -69.57 0.11 Allowed 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.326 1.05 . . . . 0.0 108.576 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -146.88 166.5 26.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 125.98 1.712 . . . . 0.0 107.605 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -60.11 -29.28 68.5 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.462 -0.78 . . . . 0.0 113.017 -168.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.8 m -78.33 -67.79 0.7 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.73 -30.8 23.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.073 1.749 . . . . 0.0 115.082 -172.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -56.31 -86.21 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.311 1.844 . . . . 0.0 110.108 168.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -34.85 13.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.641 0.776 . . . . 0.0 111.482 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.15 -56.74 17.86 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.392 1.077 . . . . 0.0 111.155 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -61.14 -26.07 67.43 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.756 1.162 . . . . 0.0 110.644 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.454 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.86 -27.41 67.51 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -174.478 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t -85.26 -38.8 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 125.269 1.428 . . . . 0.0 107.924 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -29.87 61.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.978 -166.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.8 -56.95 6.26 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 164.787 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD21 ' A' ' 15' ' ' LEU . 2.4 mp -61.44 -29.48 69.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.731 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -35.96 76.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.398 1.454 . . . . 0.0 113.012 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.9 -38.4 14.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.884 0.473 . . . . 0.0 110.136 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -62.35 -31.15 71.75 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.939 1.695 . . . . 0.0 110.663 174.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.5 -29.12 23.41 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.182 0.993 . . . . 0.0 111.09 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -66.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.12 1.368 . . . . 0.0 109.643 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.4 ' HG3' HD21 ' A' ' 30' ' ' LEU . 17.4 ptm -65.45 -27.83 68.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.26 0.553 . . . . 0.0 111.423 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.27 51.84 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.726 1.21 . . . . 0.0 110.293 173.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.51 17.23 0.98 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.639 1.59 . . . . 0.0 113.223 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 157.49 15.92 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 119.306 1.553 . . . . 0.0 110.268 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.84 -59.51 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.038 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -133.39 74.7 1.57 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.414 -2.81 . . . . 0.0 103.414 -168.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 tp -145.55 6.64 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.257 0.623 . . . . 0.0 112.001 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.29 -77.12 0.24 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 159.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -58.26 -60.03 4.4 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.887 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -62.76 -13.87 38.06 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.006 0.923 . . . . 0.0 112.742 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.26 -34.63 20.34 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.665 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 15.3 mt-10 -52.48 -29.32 24.25 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.17 1.788 . . . . 0.0 109.878 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.76 -1.53 28.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.689 2.395 . . . . 0.0 113.145 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 mtt -120.98 -54.5 2.02 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 127.221 2.208 . . . . 0.0 109.671 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' ' 75' ' ' GLU . 2.0 pp -66.76 -50.71 61.85 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 125.257 1.423 . . . . 0.0 108.944 -168.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.39 -47.55 85.28 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -70.73 3.53 3.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.748 -1.845 . . . . 0.0 115.562 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -45.46 27.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.739 -1.851 . . . . 0.0 109.786 174.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.49 4.34 0.43 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 124.117 0.886 . . . . 0.0 113.369 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 p 61.31 7.89 1.89 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.549 2.34 . . . . 0.0 114.193 -163.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.92 -24.2 2.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.759 1.224 . . . . 0.0 113.117 -158.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 126.022 1.729 . . . . 0.0 110.427 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.955 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -156.91 -65.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 118.827 1.314 . . . . 0.0 110.708 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -66.57 110.46 3.19 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -129.4 163.03 26.7 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.14 0.976 . . . . 0.0 108.719 -177.421 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.8 46.86 15.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.936 2.095 . . . . 0.0 108.595 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -66.24 -51.47 57.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.014 0.926 . . . . 0.0 110.702 -167.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.18 112.8 3.86 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 127.206 2.203 . . . . 0.0 105.799 -168.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.81 10.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 126.194 1.798 . . . . 0.0 107.685 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt 72.59 -42.45 0.53 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 130.257 3.423 . . . . 0.0 110.91 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.45 17.87 18.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.177 1.791 . . . . 0.0 112.586 -171.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -46.62 -65.65 0.52 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 125.366 1.466 . . . . 0.0 113.362 -169.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -89.22 35.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.389 1.476 . . . . 0.0 111.155 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.3 -41.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.847 2.059 . . . . 0.0 109.088 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.0 -7.64 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -174.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -120.58 -27.14 5.18 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.172 1.389 . . . . 0.0 113.247 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -37.36 82.28 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 108.969 167.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.56 1.98 39.42 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.382 -0.824 . . . . 0.0 112.125 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.2 t -122.01 -28.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -71.13 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.571 1.532 . . . . 0.0 110.82 -168.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -53.17 -17.11 1.45 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.819 1.248 . . . . 0.0 113.978 167.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.57 -24.96 15.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.284 1.433 . . . . 0.0 111.472 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.97 -71.78 0.42 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.953 1.701 . . . . 0.0 107.073 156.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -42.21 -76.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.456 1.902 . . . . 0.0 114.647 -161.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.8 74.04 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 122.909 1.338 . . . . 0.0 107.679 -172.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -51.49 156.51 1.26 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.932 2.493 . . . . 0.0 110.385 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.66 136.63 13.12 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -163.29 -177.92 5.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.179 2.192 . . . . 0.0 106.773 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.5 p -158.48 28.89 0.24 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.431 1.093 . . . . 0.0 111.762 166.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 5.8 tppt? -103.82 -101.07 0.3 Allowed 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.013 -1.054 . . . . 0.0 110.133 -174.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.05 -30.62 31.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.387 1.475 . . . . 0.0 109.484 -169.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -63.48 -44.23 94.98 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 120.8 -1.187 . . . . 0.0 109.558 175.38 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.95 -39.81 75.26 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.686 1.194 . . . . 0.0 109.347 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 0.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.559 1.944 . . . . 0.0 115.245 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -132.0 -24.24 2.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 122.278 2.308 . . . . 0.0 109.134 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 2.4 m -56.3 -40.09 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.466 165.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -8.36 0.54 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.918 2.087 . . . . 0.0 116.395 175.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.09 -26.54 10.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.896 1.278 . . . . 0.0 111.137 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -56.87 -35.88 69.42 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.699 1.59 . . . . 0.0 112.638 -173.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -59.11 -41.89 89.21 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.082 2.953 . . . . 0.0 109.926 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.27 -36.57 66.37 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.445 176.296 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.48 -22.2 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 116.946 -1.502 . . . . 0.0 112.148 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -17.42 29.98 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 123.219 2.736 . . . . 0.0 114.219 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -120.52 58.0 0.94 Allowed 'General case' 0 C--O 1.237 0.424 0 C-N-CA 127.853 2.461 . . . . 0.0 109.197 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.69 109.17 16.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.55 -68.38 0.19 Allowed 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 126.172 1.789 . . . . 0.0 110.172 -171.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -166.5 164.48 17.15 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.404 1.881 . . . . 0.0 108.403 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -57.56 -28.08 63.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.421 1.489 . . . . 0.0 113.734 -171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.7 m -70.96 -69.67 0.35 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.665 1.12 . . . . 0.0 109.303 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.37 -24.79 66.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.181 1.393 . . . . 0.0 111.8 -164.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.32 -86.56 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 129.147 2.979 . . . . 0.0 111.626 163.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -56.1 -32.59 64.31 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 111.208 -171.258 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.67 -56.23 16.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.2 1.4 . . . . 0.0 109.242 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.93 -30.07 68.45 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.453 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.4 ttt -49.82 -41.08 44.0 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.928 1.24 . . . . 0.0 112.403 173.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.18 -39.74 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.4 t -70.47 -47.03 62.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -44.01 -49.61 8.6 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.498 1.045 . . . . 0.0 109.991 173.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 35' ' ' VAL . 5.6 mt -67.8 -41.05 83.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.228 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -61.11 -31.0 70.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.535 1.061 . . . . 0.0 113.608 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.89 -37.43 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 119.281 0.946 . . . . 0.0 111.284 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -62.51 -29.35 70.49 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 126.274 1.83 . . . . 0.0 110.196 174.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.7 45.67 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 124.65 1.18 . . . . 0.0 109.829 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -54.24 -59.78 4.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.345 1.058 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.3 ptp -74.81 -21.32 59.36 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.814 1.245 . . . . 0.0 112.186 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -62.07 -40.86 97.25 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 172.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.35 68.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 128.042 2.734 . . . . 0.0 111.004 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.35 86.84 1.49 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 117.989 0.894 . . . . 0.0 112.001 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.97 -29.94 48.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.11 -0.994 . . . . 0.0 111.499 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -117.9 62.68 0.75 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.381 1.086 . . . . 0.0 109.108 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -144.85 15.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.199 165.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.11 -75.36 0.44 Allowed 'General case' 0 C--N 1.339 0.143 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -66.01 -58.52 5.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.893 0.769 . . . . 0.0 111.764 -173.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.78 -5.79 2.23 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -177.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -19.58 13.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.311 -1.328 . . . . 0.0 111.934 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.85 66.68 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 121.499 1.954 . . . . 0.0 109.968 174.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.99 -15.46 56.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.795 1.638 . . . . 0.0 110.455 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.1 ttm -107.81 -54.43 2.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.273 1.829 . . . . 0.0 109.502 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -51.77 14.32 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.905 1.23 . . . . 0.0 110.302 -170.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.12 -38.8 86.22 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.249 1.019 . . . . 0.0 109.319 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -18.36 62.34 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.036 -1.665 . . . . 0.0 112.572 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.23 73.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 120.781 -1.199 . . . . 0.0 109.196 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.31 3.57 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p 47.69 32.46 2.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.01 1.324 . . . . 0.0 113.107 -164.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -151.41 -59.25 0.17 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.256 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 130.243 3.417 . . . . 0.0 110.869 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 CA-C-O 119.926 -0.375 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.39 142.63 11.39 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.475 1.91 . . . . 0.0 106.472 164.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -60.31 142.29 54.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 109.626 170.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -136.81 -9.09 1.84 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.951 1.3 . . . . 0.0 112.15 178.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.3 tpt -149.74 48.52 0.94 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -71.37 -38.81 71.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 120.365 -1.46 . . . . 0.0 111.978 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -160.13 104.41 1.49 Allowed 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.89 18.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 128.69 2.796 . . . . 0.0 106.546 -172.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 71.11 -31.06 0.22 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 129.726 3.21 . . . . 0.0 113.824 173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.48 60.62 1.66 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.938 1.295 . . . . 0.0 107.885 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.9 p -75.2 -92.81 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 p -94.04 35.16 1.18 Allowed 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.745 -1.222 . . . . 0.0 109.375 -171.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.67 -35.46 3.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 C-N-CA 124.538 1.135 . . . . 0.0 109.096 -175.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.255 35.2 m -61.79 -45.15 99.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 C-N-CA 123.201 0.601 . . . . 0.0 111.162 -167.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 58' ' ' LEU . 28.1 tp -74.42 -27.94 60.85 Favored 'General case' 0 N--CA 1.461 0.094 0 O-C-N 120.121 -1.612 . . . . 0.0 111.712 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.32 -15.43 63.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.569 0.748 . . . . 0.0 111.231 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -101.28 -0.26 36.05 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.975 1.71 . . . . 0.0 111.971 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.18 -69.55 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.94 0.896 . . . . 0.0 111.178 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -72.69 0.34 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -169.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -48.27 -33.55 8.92 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -41.74 -28.8 0.16 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 128.676 2.79 . . . . 0.0 113.192 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.06 -22.61 0.45 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.64 1.576 . . . . 0.0 113.427 161.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -77.55 -74.48 0.25 Allowed 'General case' 0 C--O 1.227 -0.089 0 O-C-N 120.849 -1.157 . . . . 0.0 110.639 -168.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.11 63.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 127.772 2.429 . . . . 0.0 107.568 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.51 120.84 6.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.518 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -51.88 75.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.485 3.114 . . . . 0.0 114.715 -158.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -137.28 53.96 1.86 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.05 2.14 . . . . 0.0 109.392 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -154.75 154.19 32.44 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.262 0.625 . . . . 0.0 110.122 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -34.02 13.73 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.432 0.693 . . . . 0.0 110.882 153.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -53.17 47.94 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 111.061 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.406 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.38 -38.94 91.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.463 0.649 . . . . 0.0 110.086 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.05 73.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.184 1.393 . . . . 0.0 111.72 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.1 0.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.637 1.975 . . . . 0.0 113.458 166.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -28.3 1.62 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 120.98 1.718 . . . . 0.0 106.945 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.33 -35.4 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.452 167.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -53.39 -41.26 65.75 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.209 . . . . 0.0 111.737 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -77.06 -39.5 49.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 128.687 2.795 . . . . 0.0 110.299 -179.395 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -36.17 55.0 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.294 0.952 . . . . 0.0 110.619 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -66.47 -23.11 66.22 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 123.738 0.815 . . . . 0.0 112.417 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -47.5 11.95 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.483 -0.761 . . . . 0.0 109.929 169.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.87 -28.56 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 116.769 -1.586 . . . . 0.0 111.477 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -37.91 10.01 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 116.124 -1.893 . . . . 0.0 113.385 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 54.1 mt -110.75 52.37 0.74 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 119.943 1.247 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.58 96.94 6.94 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.666 1.186 . . . . 0.0 109.694 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? 66.77 -58.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 128.352 2.661 . . . . 0.0 114.775 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.8 143.68 27.66 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 m -57.14 -20.49 26.31 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.83 0.741 . . . . 0.0 111.524 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -60.97 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.261 1.424 . . . . 0.0 110.396 162.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.29 -21.12 64.97 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.967 1.707 . . . . 0.0 112.765 -166.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 129.408 3.083 . . . . 0.0 110.918 163.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -58.76 -30.42 67.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -167.632 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -48.27 -55.64 10.04 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.425 1.49 . . . . 0.0 107.596 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -68.07 -28.69 67.59 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.8 ttt -61.51 -20.88 63.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.552 2.341 . . . . 0.0 111.806 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.1 t -100.42 -21.41 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 119.604 1.093 . . . . 0.0 109.254 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB2' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -53.61 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 127.465 2.306 . . . . 0.0 112.884 -178.009 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -33.85 -64.92 0.2 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.124 2.569 . . . . 0.0 110.425 170.59 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 15' ' ' LEU . 4.0 mp -63.21 -25.52 68.37 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.029 -1.462 . . . . 0.0 113.763 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 62' ' ' LEU . 50.3 m -63.67 -49.76 71.91 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.508 1.504 . . . . 0.0 110.926 174.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.3 p -75.96 -39.59 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.259 0.624 . . . . 0.0 110.632 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.38 -32.3 73.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.973 1.709 . . . . 0.0 109.68 179.256 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -67.23 -20.62 65.7 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 120.644 1.565 . . . . 0.0 110.613 179.222 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -58.94 -52.65 64.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.2 ptp -71.32 -23.94 62.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -68.79 -24.53 64.42 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.31 53.6 0.19 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 126.391 1.948 . . . . 0.0 110.909 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . -78.73 172.42 13.75 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.828 1.314 . . . . 0.0 109.91 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG23 ' H ' ' A' ' 69' ' ' ASP . 5.9 m -80.63 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 157.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -132.15 98.04 4.31 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -176.385 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.463 HG21 HD21 ' A' ' 62' ' ' LEU . 7.3 tp -149.47 1.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 126.596 1.959 . . . . 0.0 111.13 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -66.27 -80.05 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 159.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' HD3' ' H ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -58.28 -52.53 65.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.988 1.315 . . . . 0.0 113.494 -162.297 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -70.04 -13.47 62.24 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 111.078 -178.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.71 -27.44 20.08 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 117.007 -1.473 . . . . 0.0 109.25 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.12 -21.4 22.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.36 1.891 . . . . 0.0 112.916 173.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -77.99 -61.73 1.9 Allowed 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 164.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.9 ttm -48.96 -45.84 42.61 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 117.648 -1.167 . . . . 0.0 112.628 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.04 -60.7 2.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.562 2.345 . . . . 0.0 109.6 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.41 -34.2 70.5 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 122.795 1.284 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -20.41 44.5 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 119.488 -2.008 . . . . 0.0 112.274 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -48.34 63.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 120.336 -1.478 . . . . 0.0 107.904 178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 2.9 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 -165.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.291 25.5 p 49.36 25.93 1.45 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.13 0.967 . . . . 0.0 111.523 -163.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -145.89 -82.06 0.14 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 -172.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--O 1.248 1.011 0 C-N-CA 129.396 3.078 . . . . 0.0 110.288 -174.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.701 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.28 -44.0 0.2 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.355 176.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -67.83 -66.87 0.51 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.26 0.936 . . . . 0.0 110.075 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 4' ' ' LYS 0.256 0.1 OUTLIER 74.06 -167.96 0.1 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.245 1.418 . . . . 0.0 111.998 178.836 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.558 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 25.3 ttm -78.45 86.69 4.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.479 1.512 . . . . 0.0 108.405 -170.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -75.36 -61.07 2.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.993 0.902 . . . . 0.0 110.327 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -161.3 110.41 1.59 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.185 1.394 . . . . 0.0 107.321 -159.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.91 -1.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 125.022 1.329 . . . . 0.0 109.612 -171.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt 69.9 138.34 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 129.557 3.143 . . . . 0.0 109.026 -172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.0 m 43.46 55.82 4.66 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.478 0.711 . . . . 0.0 110.83 -169.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -66.24 -85.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.119 0.961 . . . . 0.0 110.545 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -89.92 36.64 0.86 Allowed 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.61 -1.306 . . . . 0.0 110.094 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.62 -25.83 2.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 O-C-N 120.814 -1.179 . . . . 0.0 110.359 -173.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.269 33.3 m -53.27 -41.98 45.42 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 118.045 0.384 . . . . 0.0 111.614 -177.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 38' ' ' HIS . 26.7 tp -72.26 -31.71 66.02 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.593 -1.317 . . . . 0.0 112.446 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.06 -9.88 58.79 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.63 1.572 . . . . 0.0 112.504 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -117.84 1.25 12.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.887 1.275 . . . . 0.0 111.635 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.02 -54.5 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 55' ' ' VAL . 1.2 mm? -86.75 -73.29 0.47 Allowed 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -28.45 36.05 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -172.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -51.59 -26.09 8.13 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.655 2.382 . . . . 0.0 111.45 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 -43.98 1.79 Allowed 'General case' 0 C--N 1.344 0.349 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 161.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -73.79 -25.09 59.96 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 121.313 1.869 . . . . 0.0 115.37 -164.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' A' ' 31' ' ' TRP . 58.4 t -123.6 -104.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.25 2.5 tt0 82.41 102.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.155 2.982 . . . . 0.0 110.871 175.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m 46.67 54.14 9.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.987 2.515 . . . . 0.0 112.62 169.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -91.91 -60.41 1.87 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.058 1.743 . . . . 0.0 110.99 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -161.69 157.22 24.11 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.563 1.545 . . . . 0.0 108.302 -175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -68.04 -8.28 36.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.143 166.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD23 HE21 ' A' ' 65' ' ' GLN . 44.2 tp -53.42 -48.31 68.84 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 120.787 1.63 . . . . 0.0 110.003 166.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -58.14 -51.5 69.45 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.39 64.32 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 125.979 1.712 . . . . 0.0 112.619 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.43 -16.76 6.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.003 1.721 . . . . 0.0 112.291 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -112.71 -17.28 12.61 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.895 1.278 . . . . 0.0 112.65 171.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 31' ' ' TRP . 46.5 t -64.24 -45.63 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.106 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.859 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.61 -56.09 3.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.313 1.415 . . . . 0.0 111.932 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.94 63.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.532 1.133 . . . . 0.0 112.2 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -56.96 -42.58 80.4 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.172 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.35 -44.54 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -76.94 -28.66 55.3 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.93 -173.121 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.48 -26.81 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 126.246 1.818 . . . . 0.0 110.731 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -30.68 67.66 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 122.374 2.352 . . . . 0.0 113.116 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.19 53.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.789 0.681 . . . . 0.0 109.592 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.81 -61.88 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -130.67 -73.02 0.55 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.496 1.119 . . . . 0.0 108.946 -171.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.93 157.73 45.79 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 129.603 3.161 . . . . 0.0 104.116 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.9 m -58.47 -18.9 32.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.737 1.215 . . . . 0.0 112.032 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -71.49 -84.47 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.686 1.194 . . . . 0.0 108.288 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.26 -15.47 62.53 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -164.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.156 1.783 . . . . 0.0 110.468 160.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.77 -35.11 65.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.889 0.476 . . . . 0.0 111.167 -171.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -48.31 -54.21 14.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.015 0.926 . . . . 0.0 109.804 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -69.23 -30.97 69.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.347 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.414 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.9 ttt -52.36 -33.74 44.38 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.896 1.225 . . . . 0.0 112.422 171.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 19' ' ' LEU . 73.0 t -75.78 -47.67 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.7 t -59.8 -44.74 93.82 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -170.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -49.7 38.01 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.26 0.624 . . . . 0.0 110.993 173.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 15' ' ' LEU . 1.1 mt -69.76 -31.33 69.23 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.328 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -63.52 -41.34 98.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.288 1.035 . . . . 0.0 112.169 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.36 -37.54 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 121.702 -0.624 . . . . 0.0 110.798 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -64.49 -29.82 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.349 -1.469 . . . . 0.0 110.263 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.73 -33.5 23.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 110.294 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -53.58 -66.14 0.44 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.77 1.228 . . . . 0.0 110.132 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.1 ptp -63.68 -26.82 68.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.749 1.22 . . . . 0.0 112.235 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.489 HE21 HD23 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.9 -13.33 59.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 122.969 0.508 . . . . 0.0 111.207 175.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.6 41.52 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 C-N-CA 126.252 1.882 . . . . 0.0 110.958 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.59 55.74 1.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 119.183 1.491 . . . . 0.0 109.973 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 p -53.66 -34.69 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.727 -0.608 . . . . 0.0 111.648 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -97.64 77.66 2.58 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' ILE . 6.1 tp -146.13 30.22 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.752 156.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -108.61 -72.44 0.72 Allowed 'General case' 0 N--CA 1.462 0.141 0 O-C-N 121.229 -0.919 . . . . 0.0 109.579 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.96 -51.82 62.57 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.931 -1.106 . . . . 0.0 112.99 -173.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -69.58 -0.18 6.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.518 1.127 . . . . 0.0 113.125 172.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 t -109.77 -11.08 14.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 115.563 -2.161 . . . . 0.0 110.608 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -29.46 7.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 121.361 1.891 . . . . 0.0 111.805 -171.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.32 -3.77 1.02 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.23 -1.27 10.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.087 1.355 . . . . 0.0 110.831 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 -65.71 1.03 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.026 1.331 . . . . 0.0 108.422 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.96 -47.46 65.57 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 125.267 1.427 . . . . 0.0 109.396 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -75.39 -12.59 60.29 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.09 -1.631 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.44 -51.72 58.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.922 0.889 . . . . 0.0 109.358 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.63 10.46 0.1 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.119 1.368 . . . . 0.0 111.197 -170.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.287 43.9 p 61.33 13.29 4.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.047 1.739 . . . . 0.0 114.326 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 -24.3 0.64 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.873 0.869 . . . . 0.0 113.232 -166.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.245 0.86 0 C-N-CA 127.973 2.509 . . . . 0.0 111.98 -161.011 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.621 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -49.85 -38.07 33.55 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.873 1.269 . . . . 0.0 111.408 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -123.33 157.95 32.11 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 158.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.04 -29.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.779 1.632 . . . . 0.0 112.258 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.38 70.2 1.43 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -76.9 104.67 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 120.638 -1.289 . . . . 0.0 107.678 171.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.378 0.5 OUTLIER 47.21 115.1 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.043 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 -173.098 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.72 26.57 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.524 1.93 . . . . 0.0 108.273 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 76.91 -60.07 0.47 Allowed 'General case' 0 C--N 1.343 0.3 0 C-N-CA 128.961 2.904 . . . . 0.0 110.324 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' HB2' HG23 ' A' ' 14' ' ' VAL . 25.3 p -80.53 -2.79 47.6 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.39 1.076 . . . . 0.0 113.531 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 12' ' ' SER . 10.2 t -24.94 -74.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.871 2.868 . . . . 0.0 112.671 -171.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.455 ' H ' HG23 ' A' ' 11' ' ' THR . 36.0 p -119.69 37.42 4.19 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.833 0.853 . . . . 0.0 110.265 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.0 m -94.53 -50.52 11.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 165.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 10' ' ' CYS . 24.8 t -51.71 -66.9 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 C-N-CA 126.256 1.823 . . . . 0.0 110.551 -175.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 tp -69.57 -28.51 66.04 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.919 -1.112 . . . . 0.0 110.95 -168.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.05 -7.0 46.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 -0.08 10.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.723 2.009 . . . . 0.0 111.82 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.74 -29.99 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 O-C-N 120.162 -1.586 . . . . 0.0 112.175 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.699 HD13 HH11 ' A' ' 23' ' ' ARG . 1.0 OUTLIER -108.0 -72.76 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.451 1.023 . . . . 0.0 108.685 -176.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -13.92 6.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -35.11 -38.39 0.09 Allowed 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 128.305 2.642 . . . . 0.0 112.318 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -26.4 0.9 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.658 0.783 . . . . 0.0 112.114 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.699 HH11 HD13 ' A' ' 19' ' ' LEU . 92.5 mtt180 -71.72 -44.96 63.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -155.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 25' ' ' GLU . 8.2 p -121.19 -175.15 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.631 1.573 . . . . 0.0 108.722 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.633 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER 95.63 111.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 1 C-N-CA 132.533 4.333 . . . . 0.0 109.693 -177.04 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -138.84 -76.03 0.37 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.29 1.036 . . . . 0.0 110.411 162.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -149.16 15.92 0.93 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.969 1.259 . . . . 0.0 112.939 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -108.85 153.28 23.74 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.874 1.215 . . . . 0.0 112.134 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -90.63 -8.76 49.21 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.656 1.183 . . . . 0.0 110.79 161.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -52.19 -49.29 64.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 120.747 1.612 . . . . 0.0 110.233 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.458 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -63.29 -45.25 92.26 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.999 0.52 . . . . 0.0 112.173 174.688 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.88 66.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.335 1.054 . . . . 0.0 111.06 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.06 -20.35 65.82 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 117.959 -1.02 . . . . 0.0 112.969 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -92.98 -27.15 17.2 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 120.163 1.347 . . . . 0.0 111.98 163.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.265 0.4 OUTLIER -60.22 -44.81 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 119.71 1.141 . . . . 0.0 109.297 178.316 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.97 -52.46 33.41 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.358 1.436 . . . . 0.0 114.514 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.41 -17.5 64.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.659 1.584 . . . . 0.0 113.033 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -56.85 -29.69 63.11 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 121.781 2.082 . . . . 0.0 110.69 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -72.35 -5.78 38.74 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.971 0.908 . . . . 0.0 112.841 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.41 -36.9 5.66 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.345 -1.472 . . . . 0.0 112.982 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.43 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 19.7 mm -53.41 -14.67 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 110.859 171.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -35.0 62.71 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 122.299 2.318 . . . . 0.0 110.479 170.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.8 58.33 0.61 Allowed 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.54 -48.71 9.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.354 -1.338 . . . . 0.0 110.32 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -151.58 -54.13 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.914 0.779 . . . . 0.0 112.489 -173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -155.1 160.02 40.66 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 129.194 2.998 . . . . 0.0 104.08 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.4 m -56.92 -34.31 67.82 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.052 1.751 . . . . 0.0 112.659 -174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -63.47 -74.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.38 -23.56 25.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.801 1.64 . . . . 0.0 113.032 -172.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -64.89 -81.57 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 126.773 2.029 . . . . 0.0 110.944 168.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -37.62 35.26 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 123.123 0.569 . . . . 0.0 110.914 -173.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 64.4 mt-10 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 126.717 2.007 . . . . 0.0 112.609 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -58.47 -35.4 72.12 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 120.587 1.539 . . . . 0.0 110.656 168.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.567 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.15 -29.6 61.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.796 1.18 . . . . 0.0 109.915 -172.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.1 m -76.93 -22.05 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 124.062 0.945 . . . . 0.0 111.497 170.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -83.41 -50.64 8.12 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -42.2 -42.99 3.2 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 119.428 1.013 . . . . 0.0 111.925 174.273 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD13 HD12 ' A' ' 57' ' ' LEU . 2.1 mp -79.83 -23.45 42.02 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -61.46 -55.12 34.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.552 1.069 . . . . 0.0 111.893 165.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.57 -42.31 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.825 0.821 . . . . 0.0 109.54 -171.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -57.62 -27.5 62.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.746 1.218 . . . . 0.0 111.587 177.044 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -29.12 65.66 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 120.391 1.451 . . . . 0.0 109.831 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -49.55 -68.02 0.21 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.478 1.911 . . . . 0.0 109.454 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.92 -28.11 68.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.105 0.962 . . . . 0.0 112.014 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -21.84 65.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 0.677 . . . . 0.0 111.55 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.66 11.65 0.29 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-O 116.943 -2.032 . . . . 0.0 114.948 -173.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.26 97.09 10.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 121.427 2.614 . . . . 0.0 110.759 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -38.41 -56.37 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.339 1.855 . . . . 0.0 109.904 164.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -148.51 106.3 3.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -24.41 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 115.865 -2.017 . . . . 0.0 110.125 155.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -44.92 -64.01 0.8 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.74 1.609 . . . . 0.0 109.932 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.02 -49.75 68.96 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.084 0.553 . . . . 0.0 111.138 -175.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.17 -21.13 30.73 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.955 1.702 . . . . 0.0 112.036 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.97 -35.02 9.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 116.43 -1.747 . . . . 0.0 107.321 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -57.54 -33.44 68.1 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 121.642 2.019 . . . . 0.0 109.877 168.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.0 -1.32 5.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.861 1.664 . . . . 0.0 111.605 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.3 mtp -115.91 -41.47 3.19 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.762 2.025 . . . . 0.0 110.321 164.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.72 -70.61 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.219 1.827 . . . . 0.0 109.21 -166.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -34.76 49.17 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 126.041 1.736 . . . . 0.0 108.325 172.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -81.44 -16.44 52.05 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -49.47 40.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.494 1.497 . . . . 0.0 108.329 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 0.89 0.23 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.6 -159.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 p 53.83 22.5 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.565 1.075 . . . . 0.0 113.564 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -152.35 -45.7 0.1 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.117 1.767 . . . . 0.0 108.602 -172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.48 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.556 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 74.17 142.21 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.642 2.377 . . . . 0.0 109.325 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m 42.67 53.05 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.072 1.749 . . . . 0.0 112.61 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -61.41 -9.88 6.35 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.339 -0.851 . . . . 0.0 113.09 177.209 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.2 ttt -132.05 65.97 1.56 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -72.35 80.02 1.02 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.879 2.471 . . . . 0.0 110.024 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.324 0.4 OUTLIER 46.16 104.37 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 128.519 2.728 . . . . 0.0 115.032 -175.219 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 t -146.2 5.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 127.644 2.378 . . . . 0.0 108.984 -158.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 71.26 155.69 0.15 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 129.455 3.102 . . . . 0.0 109.118 -173.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER 49.14 -17.68 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 130.112 3.365 . . . . 0.0 118.932 -174.145 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -42.35 -69.12 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 C-N-CA 127.091 2.156 . . . . 0.0 111.825 -166.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -98.2 36.38 1.6 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.345 -0.847 . . . . 0.0 111.41 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.15 -41.04 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 123.944 0.897 . . . . 0.0 110.714 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.65 -46.98 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.923 0.783 . . . . 0.0 113.048 -169.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 2.9 tt -63.92 -42.42 97.4 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.416 0.686 . . . . 0.0 109.297 175.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.22 -12.69 54.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.431 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -103.72 1.69 32.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.497 1.519 . . . . 0.0 112.106 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -120.64 -85.35 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.031 1.333 . . . . 0.0 111.615 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -60.4 2.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.474 -1.392 . . . . 0.0 110.128 -168.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.93 -35.45 10.68 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 174.142 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -36.58 29.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.854 1.261 . . . . 0.0 111.242 -175.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.52 -6.88 4.68 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.82 -66.47 0.71 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.972 1.26 . . . . 0.0 111.433 -163.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.779 HG22 ' H ' ' A' ' 25' ' ' GLU 0.299 4.1 p -84.98 -160.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 167.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.779 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -142.81 177.14 8.54 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.311 1.845 . . . . 0.0 107.461 -176.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -78.46 -8.08 58.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 25' ' ' GLU . 3.3 t -86.16 172.54 10.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.517 1.053 . . . . 0.0 110.744 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t 64.7 135.55 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.843 2.857 . . . . 0.0 112.87 -168.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -82.18 -18.49 42.55 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 116.933 -1.508 . . . . 0.0 112.299 167.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.15 -47.36 81.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 120.934 1.697 . . . . 0.0 109.471 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -54.39 -56.18 21.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.213 1.005 . . . . 0.0 111.456 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.08 73.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 127.87 2.468 . . . . 0.0 112.459 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -57.28 -28.72 63.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.542 1.137 . . . . 0.0 110.755 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -32.09 17.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.744 1.618 . . . . 0.0 112.14 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.49 -41.08 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.102 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.92 -32.53 72.02 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.4 1.455 . . . . 0.0 112.958 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -46.99 80.2 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.913 0.885 . . . . 0.0 111.097 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.33 -33.71 21.25 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.495 1.043 . . . . 0.0 110.839 176.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -66.38 -19.64 65.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.562 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -38.12 10.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 126.534 1.933 . . . . 0.0 111.763 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.6 mm -62.58 -20.4 24.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 125.288 1.435 . . . . 0.0 110.295 -169.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.469 HD21 ' SD ' ' A' ' 54' ' ' MET . 23.6 mt -54.27 -35.65 62.78 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.452 2.301 . . . . 0.0 110.717 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 48.2 mt -113.33 56.48 0.69 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 167.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.76 9.63 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -140.2 -75.41 0.34 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -137.8 161.98 35.16 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.175 1.79 . . . . 0.0 106.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -55.2 -34.92 64.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.753 1.615 . . . . 0.0 111.461 -170.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -60.86 -76.8 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.591 0.557 . . . . 0.0 110.043 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.82 -25.61 65.12 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.819 0.447 . . . . 0.0 111.808 -166.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -56.44 -83.46 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.779 2.032 . . . . 0.0 111.321 170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -36.9 42.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.845 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.5 -54.17 47.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.822 0.849 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -55.99 -35.07 66.37 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.709 -1.244 . . . . 0.0 110.957 172.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.628 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -69.78 -21.73 63.39 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.53 0.605 . . . . 0.0 110.145 -170.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.56 -41.7 29.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.862 1.265 . . . . 0.0 107.646 170.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -47.39 84.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.97 0.908 . . . . 0.0 111.89 -168.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.93 -50.54 18.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.362 0.665 . . . . 0.0 112.4 172.23 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -70.07 -23.91 63.15 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 116.636 -1.649 . . . . 0.0 112.6 -176.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.0 p -58.94 -50.61 73.4 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 121.085 1.766 . . . . 0.0 111.056 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.26 -30.8 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.073 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -63.35 -32.86 74.39 Favored 'General case' 0 C--O 1.225 -0.195 0 O-C-N 120.836 -1.165 . . . . 0.0 110.167 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -30.52 65.84 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 120.456 1.48 . . . . 0.0 109.292 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -52.88 -63.13 1.25 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.661 1.185 . . . . 0.0 109.288 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.34 -25.4 65.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.173 0.589 . . . . 0.0 112.553 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -11.83 58.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.268 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.74 4.2 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.848 2.166 . . . . 0.0 113.228 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.22 50.27 1.69 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.42 1.11 . . . . 0.0 108.717 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -50.04 -27.08 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.854 1.262 . . . . 0.0 112.714 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.38 -52.41 65.75 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.272 1.829 . . . . 0.0 110.375 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 3.7 tp -79.47 23.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 125.759 1.623 . . . . 0.0 110.346 -166.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -79.55 -70.51 0.5 Allowed 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 160.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.35 -55.93 11.78 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.436 -1.415 . . . . 0.0 114.663 -163.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.758 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -61.55 0.09 0.36 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.159 1.384 . . . . 0.0 113.184 171.193 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -100.97 -46.46 5.09 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 116.114 -1.898 . . . . 0.0 106.211 170.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.12 -25.14 12.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.547 1.976 . . . . 0.0 111.627 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -70.05 -70.14 0.31 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.602 0.761 . . . . 0.0 110.145 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.1 mmm -48.95 -40.39 30.11 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.017 1.327 . . . . 0.0 114.187 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.48 -51.0 21.99 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 127.036 2.134 . . . . 0.0 109.041 -173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.85 78.86 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 109.744 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -11.42 59.93 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 119.273 -2.142 . . . . 0.0 111.505 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -51.86 29.43 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.19 6.12 0.08 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.318 1.047 . . . . 0.0 112.396 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.7 p 57.41 30.34 18.43 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.469 1.508 . . . . 0.0 111.049 -173.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -161.0 -26.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -166.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.923 2.089 . . . . 0.0 112.146 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.4 t60 58.2 -87.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.652 1.581 . . . . 0.0 110.597 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -150.18 102.98 3.13 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -42.04 62.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 112.267 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.37 91.26 8.06 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -77.37 78.25 3.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.397 0.279 . . . . 0.0 110.637 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 13.1 t0 65.09 151.55 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.744 2.418 . . . . 0.0 112.11 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 9' ' ' LYS . 2.4 t -154.4 -4.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.93 2.092 . . . . 0.0 110.015 -156.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 5.4 mmtt 63.65 -20.66 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.49 3.116 . . . . 0.0 114.436 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.74 9.87 7.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.277 0.944 . . . . 0.0 112.453 -157.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 t -53.25 -50.74 64.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.741 0.417 . . . . 0.0 111.258 -169.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.9 m -105.54 39.52 1.73 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.666 0.786 . . . . 0.0 110.213 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.49 -55.17 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 152.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' LEU 0.35 2.4 m -57.85 -69.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 120.964 1.711 . . . . 0.0 112.979 -166.078 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 23.6 tp -65.33 -32.7 74.49 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 HE21 ' A' ' 20' ' ' GLN . 0.8 OUTLIER -53.68 -21.49 7.1 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.636 1.974 . . . . 0.0 113.423 174.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -117.59 1.69 12.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.154 1.782 . . . . 0.0 112.943 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.92 -79.12 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.612 1.096 . . . . 0.0 108.689 168.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -55.1 3.86 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 123.358 1.551 . . . . 0.0 110.078 -158.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.472 HE21 HD22 ' A' ' 16' ' ' LEU . 6.5 pm0 -71.11 -3.47 20.09 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 128.242 2.617 . . . . 0.0 115.659 172.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -41.83 -52.87 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 164.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.16 -26.65 0.71 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.486 -1.245 . . . . 0.0 113.467 -174.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.48 -80.55 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 120.314 1.415 . . . . 0.0 109.353 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 31' ' ' TRP . 73.1 t -68.59 134.93 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.94 2.496 . . . . 0.0 105.209 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.09 153.21 31.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.441 -170.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 -171.16 0.18 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.481 1.912 . . . . 0.0 113.415 166.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -77.37 -28.49 52.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.247 -0.908 . . . . 0.0 112.973 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 24.39 73.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.759 2.824 . . . . 0.0 114.475 161.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -57.37 -19.26 21.88 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.374 -1.454 . . . . 0.0 113.802 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.9 tp -47.57 -60.88 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.116 1.766 . . . . 0.0 110.808 163.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -62.45 -45.61 92.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.947 0.899 . . . . 0.0 110.553 178.142 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.9 59.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.8 0.84 . . . . 0.0 112.173 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.23 -34.31 56.55 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.791 2.037 . . . . 0.0 113.278 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.47 -29.65 21.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.075 0.55 . . . . 0.0 110.338 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.99 -42.73 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.297 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.91 -25.8 61.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.272 1.396 . . . . 0.0 113.342 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -26.89 22.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.598 1.159 . . . . 0.0 111.483 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -32.57 49.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.357 1.435 . . . . 0.0 110.635 171.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.17 -21.33 64.9 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.496 1.518 . . . . 0.0 113.766 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -53.16 6.63 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 169.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.7 mp -51.44 -26.89 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 115.731 -2.081 . . . . 0.0 114.028 -171.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.48 17.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 123.412 2.824 . . . . 0.0 113.058 -176.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.01 51.96 0.93 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.56 3.21 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -133.02 -59.45 0.88 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.646 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -155.63 165.54 36.25 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.153 -2.165 . . . . 0.0 105.153 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -62.37 -20.7 64.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.091 1.356 . . . . 0.0 113.758 -167.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.1 m -79.72 -67.9 0.72 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -51.27 -31.31 20.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.396 2.279 . . . . 0.0 113.187 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -66.52 -72.83 0.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 130.042 3.337 . . . . 0.0 110.826 172.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -35.05 62.3 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.877 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 20.7 mt-10 -65.87 -35.81 81.69 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.399 2.279 . . . . 0.0 111.08 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.31 -40.46 86.3 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 118.948 -2.345 . . . . 0.0 109.574 163.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.698 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.17 -23.74 59.29 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.329 1.452 . . . . 0.0 111.435 -166.005 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.0 m -76.18 -43.3 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 126.552 1.941 . . . . 0.0 107.657 171.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.1 p -58.76 -47.25 85.33 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.9 -40.88 31.59 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.97 1.308 . . . . 0.0 112.131 176.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.59 -38.22 59.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.041 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.47 -25.19 67.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.047 0.939 . . . . 0.0 113.494 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 p -93.63 -2.21 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 126.156 1.782 . . . . 0.0 111.788 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.13 -26.69 11.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.135 1.774 . . . . 0.0 110.926 -177.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.7 -30.77 34.02 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.534 1.061 . . . . 0.0 110.837 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -60.73 2.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.113 1.365 . . . . 0.0 110.318 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 ptp -73.23 -23.74 60.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.485 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -31.82 72.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 118.673 0.669 . . . . 0.0 109.243 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.64 41.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.56 1.076 . . . . 0.0 113.221 -173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.11 126.1 46.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.163 1.482 . . . . 0.0 108.192 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.52 -52.75 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 120.157 1.344 . . . . 0.0 109.134 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.53 96.77 3.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -170.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -134.13 -15.37 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 123.769 0.828 . . . . 0.0 112.217 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -59.74 -58.11 9.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.31 59.31 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.53 0.25 20.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.497 1.044 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.3 t -124.42 -17.16 6.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.496 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -26.6 12.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.743 1.611 . . . . 0.0 113.228 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.03 -18.95 61.92 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.039 -1.038 . . . . 0.0 110.778 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 tpt -91.61 -8.79 46.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.636 1.574 . . . . 0.0 110.772 172.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.92 -73.76 0.52 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 122.541 1.162 . . . . 0.0 109.884 -156.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.97 -37.2 78.92 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.81 2.444 . . . . 0.0 109.266 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -0.21 57.34 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 119.893 -1.754 . . . . 0.0 112.159 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -69.79 -57.04 5.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.367 -1.458 . . . . 0.0 108.846 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.7 13.32 0.34 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.524 1.13 . . . . 0.0 111.463 -173.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.25 15.4 p 53.58 42.91 31.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 0.0 110.492 -166.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -34.29 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -163.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.507 0.723 . . . . 0.0 111.581 178.217 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.5 0 CA-C-O 118.505 -1.164 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 98.69 0.04 OUTLIER 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.479 1.512 . . . . 0.0 109.98 -175.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 66.21 149.26 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.625 1.17 . . . . 0.0 110.752 -171.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -126.12 -14.74 5.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.627 -1.296 . . . . 0.0 113.863 -173.103 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.528 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -105.95 20.06 19.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.93 2.092 . . . . 0.0 109.274 174.28 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p 47.64 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.077 1.751 . . . . 0.0 112.853 -168.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.75 130.33 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 128.938 2.895 . . . . 0.0 107.479 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -137.72 0.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.613 1.565 . . . . 0.0 109.824 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.313 4.6 mmmm 78.1 -60.14 0.42 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -88.76 84.97 6.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.662 0.785 . . . . 0.0 112.953 163.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -71.49 0.75 Allowed 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.109 0.563 . . . . 0.0 109.619 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -95.42 36.01 1.28 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.33 -1.481 . . . . 0.0 110.43 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.25 -38.43 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 120.75 -1.219 . . . . 0.0 109.976 -174.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 m -47.07 -70.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 126.526 1.93 . . . . 0.0 109.173 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 19' ' ' LEU . 15.6 tp -57.15 -33.25 67.21 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.947 0.899 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -56.76 -26.24 57.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.974 1.709 . . . . 0.0 111.919 -178.422 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -110.07 3.69 20.55 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 130.817 3.647 . . . . 0.0 111.059 -174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 14' ' ' VAL . 81.2 t -105.76 -86.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.944 1.298 . . . . 0.0 109.816 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.908 HD11 HG13 ' A' ' 55' ' ' VAL . 4.1 mt -83.41 -61.6 1.8 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -173.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -62.78 -4.21 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -47.54 -26.91 1.57 Allowed 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 126.916 2.086 . . . . 0.0 114.897 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.29 -28.94 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.869 1.667 . . . . 0.0 108.786 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.419 1.488 . . . . 0.0 112.694 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.669 HG11 ' CG ' ' A' ' 31' ' ' TRP . 40.4 t -100.73 126.54 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 175.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -55.81 -30.16 60.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.084 1.354 . . . . 0.0 112.233 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t 91.82 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.817 2.447 . . . . 0.0 110.078 166.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -130.98 170.11 14.91 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.785 0.834 . . . . 0.0 110.547 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m 44.4 -167.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.77 1.628 . . . . 0.0 112.729 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -108.14 -6.26 16.53 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.622 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.628 HD13 HE21 ' A' ' 65' ' ' GLN . 0.7 OUTLIER -47.77 -60.97 2.19 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 121.005 1.73 . . . . 0.0 108.848 172.213 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.868 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -70.5 -40.12 73.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 120.448 -1.407 . . . . 0.0 110.857 -177.554 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 29' ' ' LYS . . . -58.64 -24.14 60.54 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.243 -178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -58.27 -31.6 67.6 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.829 2.052 . . . . 0.0 111.174 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 m -85.53 -35.47 21.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 118.82 -0.609 . . . . 0.0 111.386 168.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 119.405 1.002 . . . . 0.0 111.609 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.4 pt20 -53.62 -44.98 69.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.342 1.057 . . . . 0.0 109.685 173.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -73.1 -38.37 66.39 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 117.412 -1.28 . . . . 0.0 108.543 -176.386 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -53.1 -37.67 61.92 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 121.195 1.816 . . . . 0.0 111.267 177.333 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.9 -31.64 71.96 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.045 0.938 . . . . 0.0 110.861 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.566 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 3.2 m-20 -87.53 -36.98 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.58 1.152 . . . . 0.0 110.389 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.2 mp -52.45 -30.03 13.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 CA-C-N 120.268 1.395 . . . . 0.0 111.063 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -28.69 15.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 121.081 1.764 . . . . 0.0 113.922 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' SD ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -107.19 49.54 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.506 0.504 . . . . 0.0 111.743 171.385 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.79 -45.0 10.71 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.518 -0.739 . . . . 0.0 110.888 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -147.14 -62.57 0.28 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.04 153.32 42.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 127.4 2.28 . . . . 0.0 106.475 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 m -61.01 -23.69 65.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.706 2.503 . . . . 0.0 112.213 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.8 m -67.74 -86.55 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 167.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.31 -35.18 1.4 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.328 2.251 . . . . 0.0 115.187 -173.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.4 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.472 1.509 . . . . 0.0 112.188 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -36.53 32.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.545 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 1.7 mt-10 -48.54 -58.22 5.01 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -72.94 -23.33 60.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.265 0.626 . . . . 0.0 112.397 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.558 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.53 -23.3 67.23 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.47 -1.394 . . . . 0.0 111.272 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 HD11 ' A' ' 19' ' ' LEU . 54.6 t -83.49 -35.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.078 0 CA-C-O 116.987 -1.482 . . . . 0.0 108.14 171.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -55.7 -52.51 63.64 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.573 1.533 . . . . 0.0 112.299 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -43.3 -49.64 6.75 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.255 0.622 . . . . 0.0 110.107 174.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -70.68 -39.1 73.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.439 -178.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -26.81 54.74 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.136 2.174 . . . . 0.0 112.111 174.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -107.43 -2.59 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.806 1.242 . . . . 0.0 110.84 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.868 HD11 ' HA ' ' A' ' 31' ' ' TRP . 2.9 tm? -104.86 -31.27 9.36 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 120.16 -1.587 . . . . 0.0 110.03 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 70' ' ' ILE . 1.6 pt? -61.42 -20.26 62.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.7 m -49.74 -70.83 0.08 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 129.795 3.238 . . . . 0.0 112.12 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.422 ' HG3' HD21 ' A' ' 30' ' ' LEU . 12.4 ptm -66.03 -30.05 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.008 0.523 . . . . 0.0 111.158 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.628 HE21 HD13 ' A' ' 30' ' ' LEU . 10.5 mm-40 -60.53 -27.78 67.9 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.676 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.34 54.34 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.68 1.133 . . . . 0.0 112.033 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . . . -139.63 105.08 5.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 123.661 1.696 . . . . 0.0 111.166 171.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.345 7.6 p -82.46 -11.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.882 -1.136 . . . . 0.0 111.152 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' C ' HD21 ' A' ' 73' ' ' LEU . 1.4 m-20 -137.08 82.03 1.91 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.333 1.853 . . . . 0.0 106.56 -168.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 62' ' ' LEU . 7.0 tp -160.19 17.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 123.509 0.723 . . . . 0.0 111.21 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -88.79 -62.29 1.52 Allowed 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -45.86 15.9 Favored 'General case' 0 C--O 1.219 -0.531 0 O-C-N 121.762 -0.586 . . . . 0.0 111.469 -168.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -70.03 -2.86 13.93 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.904 -1.747 . . . . 0.0 112.549 173.434 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.93 -26.09 9.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 117.028 -1.463 . . . . 0.0 110.628 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -34.55 20.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 120.19 1.359 . . . . 0.0 108.797 175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.74 -7.86 48.02 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.311 1.844 . . . . 0.0 113.891 -176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 mtt -121.13 1.82 10.34 Favored 'General case' 0 N--CA 1.469 0.495 1 C-N-CA 134.244 5.018 . . . . 0.0 113.344 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -132.72 -73.87 0.5 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.97 -53.22 60.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 128.129 2.572 . . . . 0.0 108.391 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -76.24 -8.78 57.81 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 119.011 -2.306 . . . . 0.0 113.771 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -64.59 -60.08 3.54 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 120.081 1.309 . . . . 0.0 108.25 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.25 11.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.309 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.303 1.8 p 62.53 20.21 11.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.065 1.346 . . . . 0.0 112.842 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 84' ' ' LEU . 10.1 tp -156.89 -61.5 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.105 0.562 . . . . 0.0 110.067 -163.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 11.0 tm0? . . . . . 0 C--O 1.256 1.412 0 C-N-CA 128.045 2.538 . . . . 0.0 111.05 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.346 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.2 65.65 1.45 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.451 1.9 . . . . 0.0 110.392 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -92.2 104.03 16.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.598 1.959 . . . . 0.0 109.489 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.373 3.2 p30 44.93 104.22 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 130.217 3.407 . . . . 0.0 114.244 -178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -147.07 24.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 130.147 3.379 . . . . 0.0 106.042 -163.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 72.46 -57.97 0.61 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 131.202 3.801 . . . . 0.0 111.106 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 m -119.96 45.27 2.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.698 1.599 . . . . 0.0 112.24 -161.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.4 m -47.32 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.342 1.857 . . . . 0.0 112.238 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.79 37.38 2.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.103 0.961 . . . . 0.0 110.563 -162.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -122.36 -49.94 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.255 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.275 34.8 m -49.27 -51.99 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -168.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.35 -27.9 59.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.058 -1.026 . . . . 0.0 111.799 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.23 -33.67 76.28 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 t -77.28 -2.8 36.63 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.77 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -121.14 -62.54 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.549 1.522 . . . . 0.0 110.785 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -76.0 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.881 -1.137 . . . . 0.0 111.426 -167.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.76 -11.67 1.05 Allowed 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -35.18 31.94 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.019 173.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -35.02 0.49 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.81 -1.091 . . . . 0.0 113.652 171.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -65.27 -73.54 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.138 1.336 . . . . 0.0 110.234 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 31' ' ' TRP . 1.9 p -92.23 125.05 44.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 126.71 2.004 . . . . 0.0 106.131 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.8 -76.17 0.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -165.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -171.94 154.31 3.47 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.281 1.432 . . . . 0.0 107.15 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.9 m 35.67 86.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.404 2.282 . . . . 0.0 114.175 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -132.34 110.11 10.34 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 163.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -51.86 -32.57 32.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.451 1.023 . . . . 0.0 110.871 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 64' ' ' MET . 5.0 tt -50.5 -63.39 1.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.439 1.496 . . . . 0.0 109.754 170.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.462 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -64.17 -39.53 94.19 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.567 -1.333 . . . . 0.0 111.564 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -60.0 -27.7 67.1 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -18.75 35.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.669 1.588 . . . . 0.0 112.802 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -110.74 -28.99 8.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.142 1.377 . . . . 0.0 111.877 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -64.42 -25.62 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 119.452 1.024 . . . . 0.0 111.16 177.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.196 0.907 . . . . 0.0 109.149 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.26 73.48 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.065 -1.022 . . . . 0.0 110.648 -170.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -32.47 38.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.025 -0.988 . . . . 0.0 112.729 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -66.74 -35.79 80.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.447 1.021 . . . . 0.0 110.23 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.53 -41.52 24.03 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.303 1.441 . . . . 0.0 108.172 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 mm -49.29 -24.29 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.427 2.291 . . . . 0.0 113.401 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -31.54 67.58 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 122.866 2.575 . . . . 0.0 113.41 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 43' ' ' LEU . 57.6 mt -107.54 54.73 0.66 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.15 0.98 . . . . 0.0 108.631 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 -40.83 12.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.453 0.471 . . . . 0.0 111.432 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -153.32 -74.23 0.13 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -163.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -151.1 161.17 43.23 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -55.04 -30.19 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.088 1.355 . . . . 0.0 112.651 -168.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -68.1 -77.46 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.801 0.84 . . . . 0.0 108.875 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.3 -24.14 67.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 112.607 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -59.47 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.396 1.878 . . . . 0.0 111.526 165.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.53 53.33 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.011 0.524 . . . . 0.0 110.91 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.24 -54.09 35.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.469 1.108 . . . . 0.0 110.413 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -21.89 63.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 122.073 -0.392 . . . . 0.0 110.039 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -29.73 70.87 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.784 -1.198 . . . . 0.0 109.23 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.73 -33.07 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.887 1.675 . . . . 0.0 108.984 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.6 t -52.72 -67.57 0.24 Allowed 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.777 1.231 . . . . 0.0 111.323 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -35.46 -61.56 0.44 Allowed 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.941 1.697 . . . . 0.0 112.114 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.21 -29.96 70.13 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -72.18 -35.1 68.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.585 0.629 . . . . 0.0 110.862 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -48.03 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.228 1.011 . . . . 0.0 109.387 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.21 -27.63 65.91 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.497 2.319 . . . . 0.0 112.437 -177.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.95 -21.88 66.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.985 -1.072 . . . . 0.0 109.777 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 m -57.23 -65.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.244 1.017 . . . . 0.0 110.57 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.522 ' HG3' HD21 ' A' ' 30' ' ' LEU . 18.0 ptp -58.41 -31.6 67.86 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.433 1.015 . . . . 0.0 110.855 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.52 -23.58 67.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.296 0.638 . . . . 0.0 111.493 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.17 14.48 0.09 OUTLIER Glycine 0 CA--C 1.532 1.122 0 CA-C-O 117.819 -1.545 . . . . 0.0 114.966 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.75 148.22 41.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.967 2.384 . . . . 0.0 112.273 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -120.15 -44.08 2.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 125.639 1.576 . . . . 0.0 108.506 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.51 90.44 3.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 70' ' ' ILE . 5.6 tp -140.12 10.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 O-C-N 121.606 -0.684 . . . . 0.0 111.31 156.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -81.35 -80.33 0.15 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.235 -1.386 . . . . 0.0 109.004 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.37 -61.78 2.11 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -163.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.7 pt? -54.56 0.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.544 2.338 . . . . 0.0 115.586 169.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.5 -27.34 6.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 116.582 -1.675 . . . . 0.0 108.353 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.24 -21.6 0.29 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 127.318 2.247 . . . . 0.0 113.588 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.48 -6.89 1.78 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 169.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -120.37 -2.43 10.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.238 1.415 . . . . 0.0 110.499 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.24 -68.28 0.93 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.982 1.713 . . . . 0.0 107.125 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.67 -35.89 79.69 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 120.614 -1.304 . . . . 0.0 110.857 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -90.69 6.65 43.13 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.757 -1.839 . . . . 0.0 111.382 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -74.58 -54.51 7.33 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.265 -1.522 . . . . 0.0 109.587 156.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.1 -4.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -154.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.273 15.0 p 52.16 27.01 4.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.393 1.877 . . . . 0.0 111.935 -166.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.55 -39.11 0.08 Allowed 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.253 -161.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.244 0.802 0 C-N-CA 127.007 2.123 . . . . 0.0 112.4 -148.182 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.91 134.42 34.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.101 1.76 . . . . 0.0 106.553 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -69.91 -167.16 0.14 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.548 0.613 . . . . 0.0 111.283 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -61.84 132.63 53.7 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 149.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.28 18.6 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 130.134 3.374 . . . . 0.0 105.156 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? 74.84 -48.12 0.64 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 131.569 3.948 . . . . 0.0 110.459 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.6 p -90.4 63.66 5.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.999 -173.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 p -60.42 -82.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.928 0.785 . . . . 0.0 110.261 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 5.5 t -121.92 38.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.973 -1.079 . . . . 0.0 110.526 -172.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 16.3 m -117.6 -26.33 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.509 -163.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.256 1.2 m -74.16 -33.82 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.043 1.292 . . . . 0.0 110.352 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.77 -30.01 67.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -3.98 8.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.762 2.025 . . . . 0.0 112.092 168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -119.58 -1.6 10.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.831 2.052 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -112.83 -56.86 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 125.105 1.362 . . . . 0.0 110.758 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -69.8 0.8 Allowed 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.355 -0.841 . . . . 0.0 109.147 -155.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -26.44 0.55 Allowed 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 125.504 1.522 . . . . 0.0 113.74 162.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.34 -32.91 5.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.14 1.776 . . . . 0.0 111.407 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -35.28 0.54 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.127 0.971 . . . . 0.0 113.574 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.94 -73.84 0.44 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -87.96 54.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.501 1.52 . . . . 0.0 108.581 173.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.6 60.56 1.67 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.156 -0.965 . . . . 0.0 110.649 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -152.94 138.06 17.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.372 -0.83 . . . . 0.0 109.639 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -77.12 127.1 32.05 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.992 0.917 . . . . 0.0 108.982 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 t -165.03 141.58 5.74 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.83 -32.98 69.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.331 0.968 . . . . 0.0 111.042 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.2 tt -44.76 -74.36 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.273 1.829 . . . . 0.0 109.931 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.02 73.1 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.083 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.25 -16.57 60.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.275 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -25.04 67.95 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.701 1.592 . . . . 0.0 111.922 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -101.11 -29.65 12.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 111.024 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -25.08 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 118.915 -1.114 . . . . 0.0 111.013 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -61.99 -58.82 6.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.737 1.608 . . . . 0.0 109.394 166.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -32.17 70.01 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.665 1.186 . . . . 0.0 111.397 -170.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -54.73 -30.67 56.81 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.91 -1.119 . . . . 0.0 112.477 176.131 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -14.88 61.43 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.581 1.552 . . . . 0.0 112.2 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -54.23 5.53 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 162.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mp -46.47 -33.4 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 115.158 -2.354 . . . . 0.0 113.557 -170.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.11 -39.01 2.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 122.994 2.634 . . . . 0.0 112.842 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -111.59 54.81 0.68 Allowed 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.7 5.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -140.44 -54.22 0.51 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.777 0.831 . . . . 0.0 111.058 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -149.42 157.86 43.67 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 129.028 2.931 . . . . 0.0 103.665 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.3 m -51.14 -43.42 61.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.999 1.32 . . . . 0.0 111.515 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 m -74.3 -65.17 0.88 Allowed 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.373 1.045 . . . . 0.0 108.999 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.9 -23.69 54.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.217 1.807 . . . . 0.0 114.139 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -68.09 -70.27 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.814 2.446 . . . . 0.0 110.112 166.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.62 -47.01 14.77 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.433 1.093 . . . . 0.0 110.892 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -49.89 -53.47 25.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.836 1.654 . . . . 0.0 109.745 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.25 -31.55 72.77 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.198 -0.939 . . . . 0.0 112.158 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.413 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -60.75 -35.15 75.67 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.617 1.567 . . . . 0.0 113.161 173.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -73.85 -32.72 35.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 123.946 0.898 . . . . 0.0 110.295 168.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -68.42 -46.76 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.31 -48.99 24.92 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 118.129 -0.938 . . . . 0.0 112.073 173.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.26 14.8 mt -64.5 -33.57 76.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.532 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -40.55 93.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.715 1.143 . . . . 0.0 113.658 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.7 -42.43 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.789 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -57.3 -27.94 62.62 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.906 1.682 . . . . 0.0 110.863 175.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -53.67 -14.12 0.82 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.273 174.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -33.66 -55.07 0.45 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 128.929 2.892 . . . . 0.0 111.098 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -85.21 -52.28 6.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.075 0.95 . . . . 0.0 110.643 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 7.1 mm100 -53.34 -27.08 21.57 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.337 1.055 . . . . 0.0 112.793 -168.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.3 31.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 CA-C-O 117.92 -1.489 . . . . 0.0 115.734 -169.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.28 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.114 1.957 . . . . 0.0 114.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.299 10.3 m 38.78 -62.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.648 1 C-N-CA 132.271 4.228 . . . . 0.0 112.986 -144.286 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.561 ' CA ' HD21 ' A' ' 73' ' ' LEU . 11.6 m-20 -73.3 53.86 0.4 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.329 2.252 . . . . 0.0 110.136 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tp -141.62 15.29 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 O-C-N 120.117 -1.614 . . . . 0.0 111.894 170.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.33 -71.73 0.73 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.587 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -56.27 6.62 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.553 1.07 . . . . 0.0 111.105 -171.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.682 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.2 pt? -61.78 1.56 0.25 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 172.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.8 t -112.52 -15.76 13.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.742 -2.075 . . . . 0.0 109.328 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -21.92 43.81 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 122.159 2.254 . . . . 0.0 112.118 -167.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -55.74 -6.72 0.23 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 166.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttp -114.23 -17.39 11.87 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 121.137 1.79 . . . . 0.0 110.131 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.92 -73.42 0.65 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.459 1.903 . . . . 0.0 108.106 -171.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.47 -47.03 63.28 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.011 1.324 . . . . 0.0 110.245 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.68 -12.24 60.01 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 120.435 -1.416 . . . . 0.0 112.881 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -65.9 -50.46 64.38 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.415 0.552 . . . . 0.0 110.304 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.73 1.18 0.16 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.428 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.251 23.2 p 49.39 28.45 2.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.86 1.264 . . . . 0.0 112.594 -166.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.72 -41.99 0.14 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.095 1.358 . . . . 0.0 111.207 -168.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.024 1.73 . . . . 0.0 109.297 170.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.31 36.78 0.59 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -71.88 -36.07 69.96 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 120.911 -1.118 . . . . 0.0 113.78 -157.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -153.79 110.27 3.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 167.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.37 17.05 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.379 2.672 . . . . 0.0 106.777 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt 61.83 92.69 0.05 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 129.346 3.058 . . . . 0.0 109.055 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m 102.93 -11.29 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.398 3.079 . . . . 0.0 114.037 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -37.43 -57.4 0.92 Allowed 'General case' 0 C--O 1.242 0.703 0 C-N-CA 126.056 1.742 . . . . 0.0 112.725 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -100.72 35.9 2.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.265 -0.897 . . . . 0.0 110.963 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.65 -31.82 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.225 1.41 . . . . 0.0 111.605 170.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.22 -43.06 75.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.531 0.681 . . . . 0.0 112.641 -171.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.52 -28.0 56.2 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 120.965 -1.085 . . . . 0.0 110.425 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.58 -10.23 50.11 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 126.038 1.735 . . . . 0.0 111.551 170.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -117.32 0.49 12.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.263 1.392 . . . . 0.0 112.712 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.06 -50.18 4.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 O-C-N 121.232 -0.917 . . . . 0.0 110.682 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.97 -69.78 0.67 Allowed 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.408 1.004 . . . . 0.0 109.873 -171.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -24.14 19.76 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -44.15 -45.36 8.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.396 1.878 . . . . 0.0 111.221 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -134.97 -38.06 0.79 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.296 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -71.41 -76.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.021 1.282 . . . . 0.0 109.386 -174.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.3 51.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.853 0.835 . . . . 0.0 109.617 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 88.12 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 169.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -155.3 168.82 25.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.827 1.251 . . . . 0.0 108.971 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.2 m -76.23 -174.85 2.94 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.085 0.554 . . . . 0.0 109.642 162.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t 95.54 122.36 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 C-N-CA 129.738 3.215 . . . . 0.0 109.628 172.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.65 0.48 5.43 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 117.803 -1.094 . . . . 0.0 111.659 167.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.55 -55.42 25.76 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 120.858 1.663 . . . . 0.0 109.222 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.78 -45.65 82.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.048 0.539 . . . . 0.0 111.612 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.28 68.99 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -20.17 61.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.614 1.566 . . . . 0.0 112.579 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.67 -26.34 12.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.201 1.401 . . . . 0.0 111.54 172.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -41.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.133 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -50.04 -52.39 34.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.499 1.499 . . . . 0.0 110.566 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.4 -28.93 69.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 120.829 -1.169 . . . . 0.0 111.987 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -37.84 64.16 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.439 1.472 . . . . 0.0 111.121 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -14.16 60.83 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 118.266 0.484 . . . . 0.0 111.458 -174.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -82.58 -43.6 16.86 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.756 1.222 . . . . 0.0 109.189 167.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 mp -55.16 -20.96 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 116.216 -1.849 . . . . 0.0 113.185 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -18.38 11.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 123.411 2.823 . . . . 0.0 114.486 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.97 58.96 0.8 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.75 1.34 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? 67.81 -68.88 0.15 Allowed 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.492 1.917 . . . . 0.0 111.221 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -112.38 -168.03 1.26 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.948 2.099 . . . . 0.0 108.545 -167.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -94.59 -36.8 11.65 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 162.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.5 m -70.19 -72.49 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.015 -171.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.71 -25.47 66.44 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.507 0.594 . . . . 0.0 111.099 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.45 -76.43 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.877 2.471 . . . . 0.0 111.08 167.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.447 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.68 -38.85 61.24 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.269 -177.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 71.2 mt-10 -59.14 -46.05 89.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.962 1.705 . . . . 0.0 110.845 176.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.03 -36.35 70.35 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.561 1.073 . . . . 0.0 109.504 170.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.635 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -28.39 57.04 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 109.445 -172.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.679 HG23 HE21 ' A' ' 85' ' ' GLN . 2.4 m -83.93 -19.27 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.634 1.173 . . . . 0.0 110.734 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.4 t -73.16 -55.79 5.99 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 111.782 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -42.96 -53.03 4.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.941 1.296 . . . . 0.0 110.972 177.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.75 -22.85 66.04 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -53.64 50.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 120.288 1.404 . . . . 0.0 110.813 168.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.45 -38.7 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 122.019 -0.426 . . . . 0.0 110.418 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -61.42 -27.61 68.67 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.127 1.371 . . . . 0.0 111.003 174.221 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.37 -22.67 63.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.15 1.341 . . . . 0.0 111.378 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -56.84 -63.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.856 1.662 . . . . 0.0 110.695 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.2 ptp -61.75 -30.54 70.85 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.825 -0.547 . . . . 0.0 110.922 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -8.76 51.54 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.853 -1.07 . . . . 0.0 112.555 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.57 26.64 1.74 Allowed Glycine 0 CA--C 1.529 0.934 0 CA-C-N 120.267 1.394 . . . . 0.0 114.328 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.56 155.57 24.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 118.908 1.354 . . . . 0.0 109.719 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.04 -30.48 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 123.75 0.82 . . . . 0.0 110.18 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.87 -106.24 0.06 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . 0.298 7.3 tp 46.94 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.084 1 C-N-CA 132.331 4.252 . . . . 0.0 112.818 -171.324 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -119.64 -81.05 0.63 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -61.89 -53.59 53.63 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 119.976 1.262 . . . . 0.0 112.842 -172.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.54 1.06 1.86 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.419 -2.05 . . . . 0.0 113.814 173.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.15 -21.45 11.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.217 1.807 . . . . 0.0 111.008 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -20.39 65.43 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 120.302 1.41 . . . . 0.0 109.777 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.42 -9.72 50.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 111.576 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 -11.92 8.58 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 126.446 1.899 . . . . 0.0 113.558 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 mt -98.73 -61.55 1.36 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -50.04 75.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.79 5.27 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.085 1.354 . . . . 0.0 114.328 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -72.41 -53.51 12.04 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 119.625 -1.922 . . . . 0.0 108.898 165.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.12 8.03 0.92 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.312 1.045 . . . . 0.0 113.253 -161.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.265 68.9 p 53.87 19.43 1.94 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.149 1.78 . . . . 0.0 113.468 -162.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.39 -71.69 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.619 1.168 . . . . 0.0 109.513 -172.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.679 HE21 HG23 ' A' ' 55' ' ' VAL . 15.7 tm0? . . . . . 0 C--O 1.244 0.805 0 C-N-CA 131.13 3.772 . . . . 0.0 114.292 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.35 56.06 7.99 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.206 1.402 . . . . 0.0 110.172 174.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -54.32 -72.01 0.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.462 1.505 . . . . 0.0 110.022 174.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.16 133.26 27.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.94 0.896 . . . . 0.0 109.046 171.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.84 15.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 127.866 2.466 . . . . 0.0 107.428 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt 71.74 -70.93 0.14 Allowed 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 128.526 2.73 . . . . 0.0 108.423 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -76.67 4.71 8.89 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -167.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 p -41.41 -55.67 2.72 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 127.148 2.179 . . . . 0.0 112.022 -172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -118.82 39.03 3.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.173 0.989 . . . . 0.0 111.421 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.31 -39.08 3.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.925 162.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.268 3.3 m -47.75 -59.41 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.215 1.37 . . . . 0.0 112.562 -173.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -68.51 -33.24 73.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.251 -0.906 . . . . 0.0 112.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.94 -16.25 63.98 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.828 -0.606 . . . . 0.0 112.286 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -102.52 1.72 35.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.374 1.87 . . . . 0.0 112.124 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -110.6 -78.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.728 1.211 . . . . 0.0 109.093 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -63.85 1.07 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 119.597 1.089 . . . . 0.0 109.605 -165.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -12.72 15.23 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -174.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.99 -40.53 6.54 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 125.595 1.558 . . . . 0.0 108.114 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -139.19 -37.58 0.51 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.904 1.682 . . . . 0.0 113.664 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -27.93 39.61 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -159.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.12 134.49 36.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 104.092 -2.559 . . . . 0.0 104.092 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.77 -151.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 120.382 1.447 . . . . 0.0 109.722 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -32.06 70.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.003 -1.061 . . . . 0.0 111.585 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 m 47.08 -161.37 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.999 2.12 . . . . 0.0 113.175 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -79.62 161.39 25.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 164.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -60.44 -18.09 48.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.795 -0.622 . . . . 0.0 112.61 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -40.26 -51.2 2.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.052 1.741 . . . . 0.0 112.655 166.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.521 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.67 -46.23 90.63 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.596 1.188 . . . . 0.0 109.602 -179.413 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.42 65.48 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.497 1.119 . . . . 0.0 112.666 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.37 61.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.295 0.952 . . . . 0.0 112.05 174.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -106.46 -28.67 10.18 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.937 0.895 . . . . 0.0 110.964 170.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -20.74 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 121.326 -0.859 . . . . 0.0 111.535 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -14.0 60.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.367 1.867 . . . . 0.0 114.619 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -120.83 -23.0 6.05 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.191 2.596 . . . . 0.0 108.473 -165.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -49.38 -31.04 8.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.011 -2.306 . . . . 0.0 112.378 171.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -60.46 -34.49 74.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.095 1.758 . . . . 0.0 111.536 177.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -39.9 94.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.049 1.34 . . . . 0.0 109.082 168.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -73.85 -20.67 17.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 O-C-N 119.122 -2.236 . . . . 0.0 111.156 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD21 ' SD ' ' A' ' 54' ' ' MET . 8.3 mt -61.45 -22.44 65.05 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.873 -1.767 . . . . 0.0 114.136 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -120.77 48.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 171.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 -39.11 48.33 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.11 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -156.35 -72.35 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.2 156.36 48.8 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 128.847 2.859 . . . . 0.0 106.147 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.9 m -50.3 -34.4 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.808 1.243 . . . . 0.0 112.387 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -67.9 -78.55 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.637 1.575 . . . . 0.0 109.877 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -57.33 -25.36 59.23 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.6 1.16 . . . . 0.0 111.661 -171.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.646 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -36.17 52.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.551 0.34 . . . . 0.0 110.956 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.41 -54.66 42.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.522 0.729 . . . . 0.0 110.816 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -61.09 -32.25 71.91 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.505 ' SD ' HD21 ' A' ' 42' ' ' LEU . 2.0 ttt -53.42 -36.96 62.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.467 1.507 . . . . 0.0 113.849 168.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.01 -23.41 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.11 0.964 . . . . 0.0 109.4 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 p -63.37 -61.22 2.49 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.069 0.947 . . . . 0.0 112.021 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -57.02 2.77 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 126.759 2.024 . . . . 0.0 110.876 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.423 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -68.18 -23.91 64.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 m -69.11 -42.73 75.7 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.766 0.712 . . . . 0.0 111.593 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.11 -34.02 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 122.074 -0.391 . . . . 0.0 111.325 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.54 -30.33 70.58 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 119.657 -1.902 . . . . 0.0 110.375 172.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -26.83 63.69 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.67 -0.644 . . . . 0.0 110.674 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 t -51.67 -59.51 4.2 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.091 1.356 . . . . 0.0 109.515 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.48 -31.17 66.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.766 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -58.46 -28.07 64.98 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.168 0.587 . . . . 0.0 110.193 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.71 0.2 0.14 Allowed Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.473 1.511 . . . . 0.0 113.919 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.15 87.09 4.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 119.29 1.545 . . . . 0.0 110.72 -161.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.7 m -46.36 -45.14 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.73 1.612 . . . . 0.0 112.629 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.7 m-20 -133.01 118.75 19.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 167.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -150.31 12.73 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.856 0.863 . . . . 0.0 112.863 160.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.42 HD22 ' C ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -90.02 -60.75 1.85 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 119.858 1.208 . . . . 0.0 108.084 164.395 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -54.98 -71.05 0.09 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.917 -170.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 69' ' ' ASP . 1.1 pt? -61.6 -1.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 120.216 -1.552 . . . . 0.0 115.008 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.96 -13.29 17.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.926 -1.988 . . . . 0.0 109.366 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -32.1 6.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.758 2.023 . . . . 0.0 111.767 -169.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.12 -4.54 0.52 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 128.634 2.774 . . . . 0.0 114.595 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.52 -5.96 9.77 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.266 1.826 . . . . 0.0 111.468 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.12 -65.81 0.96 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.127 1.371 . . . . 0.0 109.592 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.54 -36.35 75.97 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.872 1.269 . . . . 0.0 109.471 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.97 -16.33 57.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.161 -0.962 . . . . 0.0 113.173 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -70.9 -39.81 72.56 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 122.82 0.448 . . . . 0.0 111.888 -167.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.82 6.12 0.06 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 125.986 2.054 . . . . 0.0 110.854 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.274 18.1 p 59.75 18.72 7.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.826 1.193 . . . . 0.0 113.142 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.41 -24.24 0.73 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.081 1.352 . . . . 0.0 113.51 -168.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.88 -1.533 . . . . 0.0 109.701 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 119.327 -0.368 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ttp -63.38 -22.6 66.98 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.329 -164.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p 64.5 -4.54 0.42 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.775 2.83 . . . . 0.0 116.269 169.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 t0 95.71 133.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 1 C-N-CA 132.094 4.158 . . . . 0.0 108.56 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 t -145.88 24.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 128.29 2.636 . . . . 0.0 107.707 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt 65.97 166.29 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.921 2.489 . . . . 0.0 108.626 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.2 m 56.68 6.23 0.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -60.58 -33.42 72.68 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.481 1.491 . . . . 0.0 111.002 -163.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -128.04 39.6 3.82 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.757 1.623 . . . . 0.0 109.453 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.19 -51.25 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 153.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.283 1.4 m -57.23 -54.3 32.28 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 CA-C-N 118.162 0.437 . . . . 0.0 110.847 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' CG ' ' A' ' 38' ' ' HIS . 14.7 tp -71.18 -22.05 62.08 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.7 -1.25 . . . . 0.0 111.793 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 7.0 mp -74.41 -11.81 60.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.24 1.416 . . . . 0.0 113.559 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -110.55 -29.94 7.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.869 1.668 . . . . 0.0 110.173 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.96 -27.79 2.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.342 -0.848 . . . . 0.0 113.185 -161.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 19' ' ' LEU . 2.4 tm? -114.39 -63.28 1.48 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -54.06 -27.81 34.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.535 -1.222 . . . . 0.0 111.736 -174.624 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -23.38 -54.77 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 130.319 3.448 . . . . 0.0 114.44 -162.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.629 HD22 ' C ' ' A' ' 22' ' ' LEU 0.291 0.0 OUTLIER -132.03 -23.37 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.589 1.555 . . . . 0.0 112.042 176.349 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -61.08 -46.65 89.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 118.477 0.58 . . . . 0.0 111.129 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.565 HG11 ' CG ' ' A' ' 31' ' ' TRP . 46.0 t -102.43 122.89 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.07 138.83 52.38 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.848 -0.533 . . . . 0.0 109.765 165.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.01 167.88 14.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.938 1.295 . . . . 0.0 110.515 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m 56.88 63.68 1.86 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 109.659 -160.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 p -141.61 153.09 44.56 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -120.22 -24.91 5.82 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.661 1.184 . . . . 0.0 111.69 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 64' ' ' MET . 48.3 tp -59.44 -48.77 80.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.657 1.117 . . . . 0.0 109.23 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CG ' HG11 ' A' ' 24' ' ' VAL . 1.8 t90 -57.15 -50.38 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.745 0.818 . . . . 0.0 111.567 171.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.3 78.53 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.317 1.447 . . . . 0.0 111.353 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -59.65 -6.89 1.29 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.669 1.587 . . . . 0.0 113.511 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.03 -18.98 9.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.086 1.354 . . . . 0.0 112.607 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -34.81 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.498 167.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -53.07 -49.19 66.87 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.612 1.096 . . . . 0.0 110.56 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -40.07 92.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.139 0.976 . . . . 0.0 110.82 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.78 -34.49 62.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.462 1.028 . . . . 0.0 111.787 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -23.27 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.2 1.0 . . . . 0.0 111.973 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -54.89 7.29 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 118.813 0.733 . . . . 0.0 110.418 165.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.484 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 30.7 mm -54.86 -17.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 116.638 -1.649 . . . . 0.0 112.251 -168.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -37.14 32.76 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 121.39 1.905 . . . . 0.0 112.773 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.34 64.47 0.63 Allowed 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 171.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.15 -59.62 2.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -132.94 -71.08 0.53 Allowed 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.611 0.764 . . . . 0.0 110.092 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -136.43 157.08 47.65 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.124 2.57 . . . . 0.0 104.732 172.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 m -51.43 -26.99 9.01 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 117.319 -1.324 . . . . 0.0 113.454 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.0 m -72.28 -72.75 0.22 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.536 1.516 . . . . 0.0 109.403 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.21 -32.94 25.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.914 1.686 . . . . 0.0 113.03 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.17 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 128.673 2.789 . . . . 0.0 111.246 171.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -33.83 31.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.237 0.615 . . . . 0.0 111.199 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.12 -60.84 2.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.025 0.93 . . . . 0.0 109.965 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -59.66 -30.94 69.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 110.863 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.601 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.04 -24.77 67.57 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.814 1.246 . . . . 0.0 110.909 -175.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.26 -37.05 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.978 1.311 . . . . 0.0 108.275 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -48.63 80.9 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.492 1.117 . . . . 0.0 111.787 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -45.37 -54.65 6.97 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.448 1.099 . . . . 0.0 111.115 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.12 -32.36 73.73 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.475 -1.726 . . . . 0.0 111.822 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -34.22 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 121.129 1.786 . . . . 0.0 113.205 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.16 -41.04 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 109.622 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -61.98 -27.49 68.9 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.031 1.333 . . . . 0.0 110.481 175.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -26.92 62.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.841 0.857 . . . . 0.0 110.005 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -62.56 -55.74 24.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 117.883 -1.056 . . . . 0.0 111.196 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 30' ' ' LEU . 7.8 ptp -65.77 -28.55 69.11 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.839 0.745 . . . . 0.0 112.066 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' OE1' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -62.29 -36.82 83.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 175.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.63 50.95 0.04 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.289 1.423 . . . . 0.0 113.931 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.17 90.01 2.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.534 1.167 . . . . 0.0 112.99 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.84 -37.25 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.554 1.142 . . . . 0.0 112.181 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.75 120.92 12.2 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.69 36.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 126.853 2.061 . . . . 0.0 106.708 160.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.72 -68.19 0.94 Allowed 'General case' 0 C--O 1.223 -0.338 0 O-C-N 120.776 -1.202 . . . . 0.0 108.772 170.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -60.55 3.62 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.146 1.339 . . . . 0.0 112.876 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -0.37 2.58 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.505 -1.372 . . . . 0.0 114.331 172.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.29 -12.03 18.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 116.148 -1.882 . . . . 0.0 111.282 173.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -25.89 6.81 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.557 1.981 . . . . 0.0 112.739 -168.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 45.9 mt-10 -57.81 -16.28 11.01 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.604 1.162 . . . . 0.0 113.973 173.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.75 16.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.512 1.505 . . . . 0.0 110.752 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -68.59 0.86 Allowed 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.306 1.443 . . . . 0.0 109.705 -172.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.07 -63.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 66.5 t30 -72.64 3.88 4.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.239 1.415 . . . . 0.0 112.868 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 32.5 tpt85 -62.15 -51.16 68.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.815 -1.178 . . . . 0.0 109.717 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.76 5.1 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.338 1.649 . . . . 0.0 112.027 -163.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.3 p 58.42 17.7 5.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.482 1.913 . . . . 0.0 113.079 -165.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.28 -24.39 0.87 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -161.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 3.7 ttm 65.81 -47.27 0.4 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.883 2.073 . . . . 0.0 111.928 -175.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.252 54.4 p 56.93 -159.32 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.584 1.954 . . . . 0.0 111.17 -171.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.08 110.61 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 126.494 1.918 . . . . 0.0 110.435 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.2 17.41 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 127.451 2.3 . . . . 0.0 109.684 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 74.95 -71.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.613 2.365 . . . . 0.0 110.437 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.91 1.15 18.43 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -30.49 -78.26 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.97 2.908 . . . . 0.0 113.446 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -100.19 38.72 1.44 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.894 -1.128 . . . . 0.0 110.295 178.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -33.13 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.18 0.992 . . . . 0.0 110.166 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.13 -50.51 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 119.108 0.867 . . . . 0.0 111.426 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 15' ' ' LEU . 6.2 tt -60.42 -41.55 94.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 109.814 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -64.21 -14.97 58.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -104.82 1.1 28.76 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.511 1.524 . . . . 0.0 112.908 172.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -109.44 -68.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 126.626 1.97 . . . . 0.0 110.113 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.83 -66.56 0.91 Allowed 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -157.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -27.41 6.71 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.58 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -37.77 -47.52 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 126.326 1.851 . . . . 0.0 110.948 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.38 -44.49 1.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.77 0.428 . . . . 0.0 111.657 166.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 -58.01 -35.99 72.05 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -167.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -137.62 57.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 120.94 15.86 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -160.27 -174.13 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.43 1.892 . . . . 0.0 108.136 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 p -86.77 165.94 15.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.449 0.7 . . . . 0.0 109.685 154.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -76.57 90.84 3.34 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.153 -0.967 . . . . 0.0 111.668 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -120.51 -101.35 0.42 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.952 0.501 . . . . 0.0 110.8 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -46.82 56.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.577 1.551 . . . . 0.0 110.118 -174.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -61.08 -30.49 70.38 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.51 -0.744 . . . . 0.0 111.29 -177.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . . . -57.92 -29.44 65.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.76 1.224 . . . . 0.0 109.968 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -60.53 -20.85 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.464 1.484 . . . . 0.0 111.967 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -106.72 -22.79 12.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.369 -0.832 . . . . 0.0 111.315 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -59.65 -43.01 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-O 117.922 -1.037 . . . . 0.0 108.59 168.22 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.14 -23.8 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.911 1.687 . . . . 0.0 114.787 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.68 -28.36 19.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.097 1.759 . . . . 0.0 110.605 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 1.7 p-80 -55.85 -40.01 72.26 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.185 1.357 . . . . 0.0 110.386 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -8.18 43.2 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -46.88 11.23 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 119.72 1.146 . . . . 0.0 110.222 161.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mm -56.69 -22.82 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.767 1.627 . . . . 0.0 111.619 -169.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.04 -35.27 64.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.845 1.657 . . . . 0.0 111.633 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 1.1 mm? -107.65 50.24 0.78 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 120.3 1.409 . . . . 0.0 109.438 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.3 -40.29 37.26 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.906 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -159.36 -65.73 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.908 0.776 . . . . 0.0 110.78 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.6 163.13 32.85 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 129.689 3.196 . . . . 0.0 104.603 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -59.22 -33.66 71.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.436 1.471 . . . . 0.0 111.051 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -65.93 -76.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.831 2.452 . . . . 0.0 111.142 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.07 -23.13 44.53 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.381 1.072 . . . . 0.0 112.937 -171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.24 -85.0 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.647 1.979 . . . . 0.0 110.787 168.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.1 19.4 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.528 0.731 . . . . 0.0 111.971 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -54.78 -49.73 70.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.123 0.969 . . . . 0.0 111.152 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -67.9 -26.61 66.08 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 117.458 -1.258 . . . . 0.0 111.002 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.74 83.49 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.859 1.663 . . . . 0.0 111.201 173.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 -38.04 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 118.156 -0.926 . . . . 0.0 108.554 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -81.34 -21.27 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -168.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.6 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.077 -1.639 . . . . 0.0 109.672 158.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 31' ' ' TRP . 1.1 mp -72.42 -25.6 61.54 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.995 -166.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 p -60.43 -52.52 64.89 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.55 1.068 . . . . 0.0 111.752 169.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.76 -29.8 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -68.19 -27.49 66.44 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -21.38 60.1 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.228 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 p -57.42 -65.74 0.58 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.83 1.195 . . . . 0.0 110.218 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -65.44 -23.93 67.05 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.676 1.59 . . . . 0.0 111.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.22 75.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.347 1.927 . . . . 0.0 113.474 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.97 80.73 1.99 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.324 1.562 . . . . 0.0 110.224 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.45 -24.19 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 130.394 3.478 . . . . 0.0 116.617 -165.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.74 3.24 2.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.315 1.046 . . . . 0.0 111.432 -170.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.48 -21.66 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 O-C-N 120.229 -1.544 . . . . 0.0 111.459 -162.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -45.3 -54.7 6.78 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 118.256 0.48 . . . . 0.0 111.451 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -47.88 37.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.355 0.662 . . . . 0.0 111.276 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.37 -8.39 25.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.606 1.162 . . . . 0.0 112.913 -173.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.97 -32.43 8.75 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-O 115.423 -2.227 . . . . 0.0 108.005 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -32.85 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 122.877 2.581 . . . . 0.0 109.982 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.31 1.01 38.98 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.665 -1.272 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.25 -0.1 10.52 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 129.811 3.245 . . . . 0.0 109.859 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mt -128.68 -77.66 0.56 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.18 -40.16 95.1 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.209 -0.932 . . . . 0.0 108.868 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.27 -9.35 59.16 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -57.69 -52.53 65.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.822 1.249 . . . . 0.0 108.523 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.65 15.29 0.37 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 118.27 -0.872 . . . . 0.0 112.458 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.255 8.3 p 51.23 53.71 12.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.143 0.883 . . . . 0.0 110.762 -172.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 tp -162.39 -36.61 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.032 1.733 . . . . 0.0 112.945 165.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.564 0.746 . . . . 0.0 111.267 -177.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 5' ' ' MET . 3.3 ptmm? . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -130.8 79.04 1.88 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 100.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.202 1.801 . . . . 0.0 108.798 162.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.41 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 128.002 2.521 . . . . 0.0 112.716 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.87 22.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 126.16 1.784 . . . . 0.0 108.483 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt 71.82 -74.52 0.09 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.426 2.69 . . . . 0.0 108.865 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 34.5 m -74.55 70.23 1.77 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.639 -0.663 . . . . 0.0 109.949 161.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 p -69.33 -79.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.448 1.099 . . . . 0.0 109.284 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.61 39.18 4.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.246 1.418 . . . . 0.0 109.837 -167.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 14.5 m -119.31 -48.85 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 110.178 -166.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 t -54.74 -62.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.092 0 C-N-CA 125.876 1.67 . . . . 0.0 110.012 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 58' ' ' LEU . 12.2 tp -65.16 -23.96 67.26 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.427 -0.796 . . . . 0.0 111.093 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.64 -11.33 60.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.623 1.969 . . . . 0.0 113.104 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -120.6 0.87 10.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.4 1.48 . . . . 0.0 112.861 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.68 -61.65 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 119.888 1.222 . . . . 0.0 111.407 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.61 -72.25 0.45 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.553 -1.276 . . . . 0.0 107.553 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.5 18.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -44.49 -41.19 6.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 127.714 2.405 . . . . 0.0 112.325 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.68 -10.24 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.654 1.182 . . . . 0.0 113.141 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.54 -46.99 7.04 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.0 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 31' ' ' TRP 0.267 79.6 t -98.77 -103.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 106.546 -1.649 . . . . 0.0 106.546 -173.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.283 2.2 pt-20 70.33 152.22 0.1 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 130.018 3.327 . . . . 0.0 112.153 -164.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 t 143.06 -115.75 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 131.25 3.82 . . . . 0.0 105.755 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -149.39 45.27 0.96 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.956 0.902 . . . . 0.0 110.461 -158.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m 42.85 64.62 1.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.347 1.459 . . . . 0.0 111.701 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -80.37 -100.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.966 0.906 . . . . 0.0 108.829 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -108.3 -27.84 9.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 123.424 0.69 . . . . 0.0 109.767 -173.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.526 ' CG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.41 -36.28 9.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.172 0.989 . . . . 0.0 111.485 175.377 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.56 65.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.295 1.838 . . . . 0.0 112.227 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.11 -34.63 72.24 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.871 1.268 . . . . 0.0 111.14 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.1 -24.09 21.21 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.917 -0.489 . . . . 0.0 111.844 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -39.21 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 119.338 0.972 . . . . 0.0 110.249 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -68.13 -14.55 63.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.2 1.0 . . . . 0.0 112.666 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -35.6 20.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 121.461 -0.775 . . . . 0.0 110.969 168.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -56.45 -40.26 74.53 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.166 1.348 . . . . 0.0 111.483 -176.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -10.48 59.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.183 0.993 . . . . 0.0 113.09 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.3 -54.89 3.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -48.37 -12.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 128.695 2.798 . . . . 0.0 115.686 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -51.47 -27.79 11.42 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 121.857 2.117 . . . . 0.0 115.331 173.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' LEU . 25.2 mt -115.7 33.42 5.49 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.181 1.355 . . . . 0.0 111.422 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -84.35 128.18 34.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? 63.7 -81.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.44 1.096 . . . . 0.0 111.869 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -156.85 157.49 35.02 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 128.569 2.748 . . . . 0.0 106.581 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 m -53.4 -29.5 35.25 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.12 0.873 . . . . 0.0 113.138 -171.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -69.4 -75.06 0.12 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -19.36 63.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -50.52 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.21 2.604 . . . . 0.0 112.525 163.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -38.11 72.67 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -174.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 96.4 mt-10 -58.55 -42.18 87.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.535 1.934 . . . . 0.0 110.537 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.49 75.34 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 119.89 -1.756 . . . . 0.0 109.555 169.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.589 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -73.78 -24.21 59.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.709 1.203 . . . . 0.0 109.588 -169.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -89.76 -20.72 6.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 125.357 1.463 . . . . 0.0 110.967 171.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -77.76 -47.2 19.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.852 1.261 . . . . 0.0 111.907 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.8 -54.78 9.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.868 1.213 . . . . 0.0 111.239 169.622 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 31' ' ' TRP . 2.3 mp -73.55 0.48 12.45 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -56.17 5.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.228 0.922 . . . . 0.0 111.332 157.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -48.29 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.71 1.204 . . . . 0.0 109.877 -166.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.66 -23.43 63.07 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.903 2.081 . . . . 0.0 112.418 -175.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 58' ' ' LEU . 1.5 mm? -60.85 -22.16 63.96 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.051 -1.03 . . . . 0.0 112.047 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 p -41.7 -67.11 0.28 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.695 1.998 . . . . 0.0 111.462 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.0 ptm -75.28 -25.36 57.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 127.152 2.181 . . . . 0.0 112.352 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' CD ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -63.72 -25.76 68.34 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.018 0.527 . . . . 0.0 110.286 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.62 22.02 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 CA-C-O 117.504 -1.72 . . . . 0.0 113.322 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.41 95.77 4.58 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 120.798 2.299 . . . . 0.0 110.969 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.54 -30.4 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 118.335 0.516 . . . . 0.0 111.56 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.53 79.18 1.84 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -168.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -141.37 -28.89 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 118.129 -0.939 . . . . 0.0 111.273 152.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -63.32 1.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 120.062 1.301 . . . . 0.0 110.385 -168.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.57 77.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.697 0.76 . . . . 0.0 111.126 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 73' ' ' LEU . 6.1 mp -57.34 -30.48 64.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.124 1.369 . . . . 0.0 109.642 -173.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.96 -28.73 15.62 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.481 -1.247 . . . . 0.0 108.888 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 1.9 mt-10 -49.3 -39.8 32.41 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.563 1.074 . . . . 0.0 109.664 174.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.33 -23.6 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -46.02 12.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 116.886 -1.53 . . . . 0.0 110.076 169.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 2.2 pp -84.9 -40.25 17.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 120.018 1.281 . . . . 0.0 113.718 -162.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -53.14 61.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.4 -3.54 31.08 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.484 -1.385 . . . . 0.0 113.598 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.1 -54.29 22.77 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.9 18.67 0.59 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.889 1.276 . . . . 0.0 111.514 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.295 76.7 p 56.85 16.44 2.74 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.474 1.91 . . . . 0.0 114.305 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.73 -28.85 0.09 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.308 1.043 . . . . 0.0 111.775 -167.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.381 1.872 . . . . 0.0 112.38 175.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.379 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.318 0.0 OUTLIER 72.29 104.05 0.07 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.133 0.968 . . . . 0.0 109.113 -169.153 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -72.41 -59.57 2.66 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.552 1.541 . . . . 0.0 109.06 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -148.7 104.87 3.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.374 1.47 . . . . 0.0 108.878 -157.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -144.06 101.25 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.946 1.698 . . . . 0.0 107.22 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -78.59 -11.01 59.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.704 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -138.3 95.34 2.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.013 2.125 . . . . 0.0 106.482 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -93.24 -91.6 0.18 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -87.52 38.96 0.85 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 120.46 -1.4 . . . . 0.0 111.205 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 14' ' ' VAL 0.252 35.9 m -120.66 -72.8 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.571 ' H ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -23.78 -63.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 129.82 3.248 . . . . 0.0 114.221 171.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 38' ' ' HIS . 24.5 tp -76.41 -26.61 55.71 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.33 -0.856 . . . . 0.0 112.958 -171.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.14 -48.07 83.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 166.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 m -66.96 -6.11 15.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.9 -29.01 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 119.906 1.23 . . . . 0.0 113.108 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -108.21 -77.53 0.6 Allowed 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 121.006 -1.059 . . . . 0.0 109.316 -173.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' H ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -48.26 -25.05 1.37 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.739 174.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -28.92 -47.34 0.05 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 128.544 2.738 . . . . 0.0 110.503 170.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.455 0.0 OUTLIER -142.66 -10.86 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 117.195 2.295 . . . . 0.0 117.195 160.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.03 -34.68 20.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.37 1.441 . . . . 0.0 112.897 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' H ' ' HA ' ' A' ' 20' ' ' GLN . 7.5 p -142.76 52.27 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 124.404 1.065 . . . . 0.0 112.195 -167.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -82.91 177.55 8.58 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.265 -1.522 . . . . 0.0 114.78 -172.12 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 1.8 t 51.37 73.31 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 129.1 2.96 . . . . 0.0 110.951 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -159.53 155.87 27.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -159.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -168.49 17.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.326 1.451 . . . . 0.0 113.365 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 -100.74 0.43 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.516 1.507 . . . . 0.0 112.448 -165.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 -46.38 77.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.44 1.473 . . . . 0.0 110.976 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.494 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -60.31 -40.49 90.73 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.86 81.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.648 1.579 . . . . 0.0 111.323 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -12.42 4.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.923 1.689 . . . . 0.0 112.516 172.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 t -110.68 -23.44 11.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.943 1.297 . . . . 0.0 112.858 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -39.91 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 170.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -51.79 -46.16 64.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.603 1.092 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -29.21 64.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.608 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.53 -31.73 56.82 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.799 1.181 . . . . 0.0 111.463 176.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 122.288 1.042 . . . . 0.0 110.395 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -64.74 -43.51 93.13 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.333 1.053 . . . . 0.0 110.363 174.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 22.8 mm -60.7 -20.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-O 116.176 -1.869 . . . . 0.0 111.564 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -32.86 59.88 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 122.189 2.268 . . . . 0.0 112.573 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.278 2.3 mp -105.03 42.02 1.27 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.912 1.233 . . . . 0.0 110.265 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.46 93.7 8.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.253 11.6 tmtt? 71.15 -70.6 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.061 1.745 . . . . 0.0 110.67 -174.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.78 163.18 38.67 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.125 1.37 . . . . 0.0 108.646 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -49.15 -36.43 19.26 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.376 1.87 . . . . 0.0 113.029 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.0 m -74.18 -70.72 0.37 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.894 1.277 . . . . 0.0 110.315 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.26 -25.14 65.46 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 111.494 -171.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -55.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 127.305 2.242 . . . . 0.0 111.714 165.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -34.45 55.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.505 0.322 . . . . 0.0 111.412 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 2.9 mm-40 -52.36 -61.65 2.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.473 1.509 . . . . 0.0 109.488 171.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.51 -28.2 69.14 Favored 'General case' 0 C--N 1.333 -0.133 0 O-C-N 120.869 -1.145 . . . . 0.0 111.844 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.643 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.99 -22.85 64.06 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.629 1.104 . . . . 0.0 110.471 -174.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -82.0 -37.48 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.717 1.607 . . . . 0.0 107.717 170.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -60.21 -45.35 93.48 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -50.01 -50.43 47.37 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.447 172.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mt -70.16 -18.2 63.2 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.344 -175.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -56.15 19.23 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.856 1.207 . . . . 0.0 110.28 167.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.26 -29.0 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-O 122.24 1.019 . . . . 0.0 110.962 -170.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.37 -31.28 70.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.213 -1.554 . . . . 0.0 110.643 173.004 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -63.42 -28.98 70.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 120.45 1.477 . . . . 0.0 108.478 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -58.96 -55.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 22.2 ptp -68.32 -28.73 67.41 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 123.138 0.575 . . . . 0.0 112.212 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -34.85 78.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.09 49.45 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-O 118.533 -1.148 . . . . 0.0 112.358 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.33 90.84 2.34 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.649 1.725 . . . . 0.0 112.039 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.2 -32.23 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.331 -0.856 . . . . 0.0 112.848 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -134.63 90.66 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 127.777 2.431 . . . . 0.0 105.701 -171.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 62' ' ' LEU . 6.0 tp -155.67 17.36 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 121.625 -0.672 . . . . 0.0 112.065 167.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -92.59 -72.77 0.58 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -72.97 -33.5 65.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -163.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.07 -1.69 49.38 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.507 1.123 . . . . 0.0 110.248 172.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 t -97.85 -41.43 8.04 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 116.37 -1.776 . . . . 0.0 106.413 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -26.54 -40.93 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 130.775 3.63 . . . . 0.0 115.903 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.36 -16.39 2.2 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.137 -1.602 . . . . 0.0 115.2 170.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -6.62 22.33 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.087 1.755 . . . . 0.0 111.365 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -124.14 -69.62 0.8 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 107.915 -173.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.09 -48.68 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.946 1.298 . . . . 0.0 108.559 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -5.32 44.1 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.983 -1.073 . . . . 0.0 112.437 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -60.91 -50.55 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 119.893 -1.754 . . . . 0.0 108.574 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.04 5.1 0.28 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 124.286 0.991 . . . . 0.0 112.848 -175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.2 p 44.56 43.58 6.56 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.602 1.092 . . . . 0.0 111.501 -155.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -50.92 0.53 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 116.844 -1.551 . . . . 0.0 111.674 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.87 0 C-N-CA 125.748 1.619 . . . . 0.0 110.064 175.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HE2' ' CB ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 tpt -22.86 83.79 0.0 OUTLIER 'General case' 0 C--O 1.235 0.341 1 C-N-CA 131.806 4.043 . . . . 0.0 111.615 -169.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -90.1 -83.55 0.25 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -122.95 104.27 9.14 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.556 1.942 . . . . 0.0 106.834 -166.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 5.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 112.161 -2.29 . . . . 0.0 108.382 -165.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 71.62 -36.07 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 129.717 3.207 . . . . 0.0 111.356 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 9.0 p -81.14 -96.68 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 123.828 0.851 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.371 0.5 OUTLIER 45.13 -91.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.564 2.346 . . . . 0.0 111.115 -170.129 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.428 ' H ' ' CG2' ' A' ' 11' ' ' THR . 3.1 p -82.35 49.85 1.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.924 1.689 . . . . 0.0 112.098 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 10' ' ' CYS . 19.2 m -120.18 -52.59 3.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 161.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 m -48.5 -62.29 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 124.265 1.026 . . . . 0.0 111.911 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.31 -25.83 64.43 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.448 -1.408 . . . . 0.0 111.877 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.48 -2.91 34.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.81 2.044 . . . . 0.0 112.946 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -120.63 -5.59 9.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.554 1.942 . . . . 0.0 110.523 174.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -120.98 -35.44 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.38 -67.84 0.84 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.451 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -51.86 -34.05 39.16 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -34.54 -48.1 0.35 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.31 2.244 . . . . 0.0 111.818 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.13 -32.18 0.96 Allowed 'General case' 0 C--N 1.34 0.193 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -81.99 -55.11 4.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.839 1.2 . . . . 0.0 110.176 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.499 ' HB ' HD13 ' A' ' 62' ' ' LEU . 2.9 p -107.29 55.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 125.496 1.519 . . . . 0.0 107.275 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.2 67.22 3.97 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.256 -174.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.6 157.09 44.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.874 1.67 . . . . 0.0 109.757 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 p -86.1 8.72 19.69 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.94 2.896 . . . . 0.0 113.649 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -71.79 178.15 3.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.376 1.071 . . . . 0.0 112.775 -160.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.16 -26.86 13.2 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.824 -1.173 . . . . 0.0 111.51 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.8 -49.26 77.21 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.593 1.088 . . . . 0.0 110.187 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.485 ' NE1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.01 -38.74 82.97 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.543 -0.723 . . . . 0.0 111.134 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.29 75.71 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.728 1.211 . . . . 0.0 110.602 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -13.79 5.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.585 1.954 . . . . 0.0 113.3 173.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.93 -27.47 11.68 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 120.207 1.367 . . . . 0.0 111.768 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.95 -34.47 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.082 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.87 -42.42 65.24 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.052 0.842 . . . . 0.0 111.916 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -41.19 79.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.87 -1.144 . . . . 0.0 110.42 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -34.48 57.78 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.82 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.87 -44.59 91.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.861 0.755 . . . . 0.0 109.681 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.51 74.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.917 1.287 . . . . 0.0 109.626 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.9 -16.42 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 O-C-N 119.608 -1.932 . . . . 0.0 111.986 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -26.14 60.47 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.988 2.177 . . . . 0.0 113.633 174.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -116.99 46.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.576 0.703 . . . . 0.0 110.117 174.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.44 24.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.338 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -141.91 -71.56 0.34 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.41 156.05 49.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.148 2.179 . . . . 0.0 106.121 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -51.55 -31.41 24.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.678 2.391 . . . . 0.0 112.998 -173.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m -68.45 -80.29 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.696 1.998 . . . . 0.0 109.314 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -28.33 37.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.437 1.495 . . . . 0.0 112.699 -171.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.64 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.878 2.071 . . . . 0.0 110.668 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -36.64 55.43 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.353 0.661 . . . . 0.0 111.204 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -52.92 -61.43 2.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.891 0.876 . . . . 0.0 109.769 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -62.23 -29.14 70.18 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 120.697 -1.252 . . . . 0.0 110.724 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.81 70.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.236 1.414 . . . . 0.0 109.015 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.577 ' HB ' HE22 ' A' ' 85' ' ' GLN . 4.4 t -76.69 -44.74 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.622 1.569 . . . . 0.0 109.055 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.9 p -53.66 -50.69 65.23 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.742 0.701 . . . . 0.0 112.493 -168.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -51.33 8.82 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.901 1.281 . . . . 0.0 111.577 173.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' NE1' ' A' ' 31' ' ' TRP . 1.2 mp -71.48 -21.94 61.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.546 -170.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 81.5 p -64.2 -52.11 60.48 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 119.145 0.884 . . . . 0.0 110.745 173.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.75 -40.54 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.54 -29.8 69.37 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.094 1.358 . . . . 0.0 111.617 175.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HB ' ' A' ' 24' ' ' VAL . 22.0 tp -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 120.476 1.489 . . . . 0.0 109.879 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 m -55.82 -65.82 0.53 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.418 1.008 . . . . 0.0 110.469 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.5 ptp -63.35 -26.15 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.678 0.791 . . . . 0.0 112.798 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -26.31 64.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.604 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.23 26.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.763 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.847 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.96 112.7 19.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 120.976 2.388 . . . . 0.0 111.468 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.71 -35.0 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.52 170.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -152.62 86.55 1.27 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.8 tp -129.21 -36.23 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 117.123 -1.417 . . . . 0.0 110.392 157.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -42.54 -68.16 0.21 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.334 1.454 . . . . 0.0 110.963 -169.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.28 -38.05 86.88 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.672 -0.642 . . . . 0.0 112.645 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.5 mp -68.01 -7.56 30.08 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.331 1.852 . . . . 0.0 111.334 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.97 -38.68 5.27 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.44 -30.11 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 121.437 1.926 . . . . 0.0 112.75 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.86 -30.62 65.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.233 -1.542 . . . . 0.0 111.083 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 ttt -83.35 1.38 41.56 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 127.241 2.216 . . . . 0.0 112.049 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -125.21 -52.81 1.63 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.788 1.235 . . . . 0.0 111.032 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -71.91 -74.24 0.16 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -69.2 8.47 0.57 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.091 -1.631 . . . . 0.0 114.18 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 tpt85 -56.41 -57.89 10.37 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.691 1.596 . . . . 0.0 111.143 158.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.49 17.43 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.966 2.107 . . . . 0.0 111.608 -161.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.28 2.2 p 54.69 45.98 25.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.706 2.802 . . . . 0.0 113.219 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.39 -36.77 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.577 HE22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.977 0.911 . . . . 0.0 110.487 -163.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.585 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.519 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 2.1 tpt -141.81 80.61 1.73 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 103.667 -2.716 . . . . 0.0 103.667 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -68.05 -80.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.107 1.363 . . . . 0.0 110.532 -174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -147.93 145.72 28.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -145.85 11.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 C-N-CA 129.234 3.014 . . . . 0.0 106.177 -158.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 73.32 -26.35 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 130.614 3.566 . . . . 0.0 112.294 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.6 m -135.65 52.3 2.01 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.683 1.593 . . . . 0.0 109.963 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.1 p -77.94 -86.16 0.06 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.067 -1.021 . . . . 0.0 109.417 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 38.08 0.68 Allowed 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.861 -1.149 . . . . 0.0 110.377 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 m -106.57 -23.79 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.922 1.289 . . . . 0.0 108.07 169.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -69.18 -75.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.075 2.15 . . . . 0.0 108.345 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 58' ' ' LEU . 25.6 tp -62.66 -29.17 70.44 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.253 -0.904 . . . . 0.0 112.599 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 mt -69.9 -17.52 63.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.329 0.651 . . . . 0.0 112.746 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -93.98 -4.7 49.18 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.966 0.907 . . . . 0.0 112.049 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.99 -67.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 119.874 1.215 . . . . 0.0 110.549 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -70.5 0.29 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -171.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.69 -22.9 48.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 125.045 1.338 . . . . 0.0 113.556 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -44.59 -33.27 1.72 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.816 2.046 . . . . 0.0 111.807 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -148.3 -28.04 0.32 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 162.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -74.29 -37.89 63.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.85 0.75 . . . . 0.0 112.129 -164.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.6 60.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.382 1.473 . . . . 0.0 108.03 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.47 158.44 4.37 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 112.253 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CH2' ' A' ' 31' ' ' TRP . 79.1 p -58.9 4.28 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.502 3.121 . . . . 0.0 118.489 -151.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 t -85.1 -2.0 57.5 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -150.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -156.13 133.6 10.88 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 122.729 2.513 . . . . 0.0 113.261 -169.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.57 -36.66 81.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.865 2.066 . . . . 0.0 114.827 -167.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.21 73.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.564 1.075 . . . . 0.0 110.773 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.513 ' HE1' HD21 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.73 -44.08 90.37 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.494 -0.754 . . . . 0.0 109.597 177.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -29.65 70.66 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.686 1.594 . . . . 0.0 112.571 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.38 -13.89 59.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.003 0.921 . . . . 0.0 111.349 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -27.96 12.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 125.419 1.488 . . . . 0.0 112.323 167.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.17 -39.85 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.05 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.81 -43.92 66.27 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 120.288 1.404 . . . . 0.0 111.805 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.68 91.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.755 1.222 . . . . 0.0 110.745 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -34.0 37.61 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.849 1.204 . . . . 0.0 112.864 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.86 -28.42 69.54 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.539 1.638 . . . . 0.0 110.978 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.585 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -88.58 -34.97 17.14 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.855 -1.153 . . . . 0.0 110.687 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.03 -17.91 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 125.438 1.495 . . . . 0.0 112.453 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -19.71 9.04 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 122.091 2.223 . . . . 0.0 113.171 170.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.47 HD12 ' HE2' ' A' ' 4' ' ' LYS . 62.4 mt -118.77 43.44 2.54 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.747 2.419 . . . . 0.0 111.279 173.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -80.12 -15.69 56.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.53 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -167.73 -65.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 171.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -156.16 168.94 25.7 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 128.722 2.809 . . . . 0.0 107.11 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -48.75 -47.5 41.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.147 1.779 . . . . 0.0 113.787 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 m -64.59 -68.04 0.39 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.097 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.6 -40.73 13.4 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.834 1.654 . . . . 0.0 112.112 -174.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -57.95 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 128.391 2.676 . . . . 0.0 110.67 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -27.41 64.49 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.404 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -57.52 -51.79 68.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 119.96 -1.712 . . . . 0.0 110.248 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -77.01 -22.39 53.17 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.808 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 ttm -51.98 -45.94 64.67 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.141 1.776 . . . . 0.0 111.356 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.42 -36.33 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.0 m -63.17 -54.79 32.2 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 117.223 -1.37 . . . . 0.0 112.095 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -61.12 1.06 Allowed 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 124.598 1.159 . . . . 0.0 110.286 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -66.36 -21.99 66.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.777 -1.106 . . . . 0.0 113.285 -171.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.8 m -70.57 -48.31 55.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.216 0.917 . . . . 0.0 111.299 170.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -67.57 -44.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 121.276 -0.89 . . . . 0.0 108.995 -177.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -57.97 -27.19 63.22 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.435 2.294 . . . . 0.0 110.934 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.06 -22.69 64.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.526 1.057 . . . . 0.0 109.662 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -56.36 -56.59 19.2 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.661 1.184 . . . . 0.0 110.503 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.4 ptm -73.3 -25.4 60.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.919 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -24.57 64.77 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.659 0.6 . . . . 0.0 109.602 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 31.11 0.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.806 1.193 . . . . 0.0 114.399 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.28 54.7 1.44 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 119.117 1.458 . . . . 0.0 109.372 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -56.11 -18.85 6.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.176 -0.953 . . . . 0.0 113.1 -167.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.95 86.94 2.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.53 1.532 . . . . 0.0 108.037 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.1 tp -145.02 19.83 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.303 1.441 . . . . 0.0 111.673 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -120.06 -47.31 2.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 O-C-N 121.131 -0.981 . . . . 0.0 109.876 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -72.53 -64.8 0.88 Allowed 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.725 0.81 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.846 ' H ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -68.1 0.49 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 173.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.49 -6.75 20.34 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 116.006 -1.949 . . . . 0.0 109.629 171.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -26.69 34.89 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 122.252 2.296 . . . . 0.0 111.503 -171.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.96 -12.12 3.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.982 1.713 . . . . 0.0 112.986 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.3 mtp -121.5 -4.46 9.32 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 111.023 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -67.28 0.94 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.828 2.051 . . . . 0.0 108.815 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -57.72 11.67 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 108.218 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -65.72 -5.89 9.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.969 1.308 . . . . 0.0 113.389 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -68.82 -41.69 78.24 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.529 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -159.21 13.95 0.15 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 167.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p 54.29 46.31 25.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.192 1.797 . . . . 0.0 112.997 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.68 -36.07 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.408 HE22 ' HB3' ' A' ' 82' ' ' ALA . 16.2 mp0 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.6 2.36 . . . . 0.0 112.642 -167.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 119.043 -0.503 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.59 87.23 1.92 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -66.04 -62.25 1.59 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -167.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -143.04 109.49 5.37 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 103.282 -2.859 . . . . 0.0 103.282 -166.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.01 5.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 124.096 0.959 . . . . 0.0 108.585 -155.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp 78.18 -31.7 0.16 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.306 2.642 . . . . 0.0 109.808 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 13' ' ' VAL . 81.1 m -69.39 -107.05 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.323 -1.322 . . . . 0.0 109.884 144.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.276 98.7 m 56.47 -105.24 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.011 -164.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.36 60.94 5.94 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.887 2.13 . . . . 0.0 110.347 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 10' ' ' CYS 0.29 3.6 m -120.6 -75.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 118.386 -0.816 . . . . 0.0 108.954 160.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 1.0 OUTLIER -53.59 -53.15 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 119.473 1.033 . . . . 0.0 111.863 -163.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD21 HD22 ' A' ' 58' ' ' LEU . 5.4 tt -60.85 -41.66 96.28 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 1.4 mp -64.97 -13.62 57.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.78 0.832 . . . . 0.0 113.092 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -105.82 0.7 26.26 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.964 1.706 . . . . 0.0 111.715 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -115.41 -65.51 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 110.093 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.76 -65.31 1.03 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -165.322 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.33 -25.02 5.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.741 172.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.641 ' O ' HD22 ' A' ' 22' ' ' LEU . 13.9 tm0? -32.42 -56.41 0.34 Allowed 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 128.986 2.914 . . . . 0.0 108.749 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -138.02 -5.85 1.66 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 125.318 1.636 . . . . 0.0 114.307 171.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -45.62 13.53 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 120.594 1.543 . . . . 0.0 110.257 -172.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -139.86 63.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 126.948 2.099 . . . . 0.0 106.233 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -31.54 45.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.53 1.132 . . . . 0.0 111.089 -177.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 p 153.8 163.47 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 130.142 3.377 . . . . 0.0 110.033 144.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m -125.9 -59.56 1.34 Allowed 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 164.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -147.47 -177.42 5.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.305 1.05 . . . . 0.0 112.846 -169.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.32 -10.81 0.98 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.126 164.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.09 -63.78 1.1 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.672 1.578 . . . . 0.0 109.896 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -42.01 63.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.769 0.795 . . . . 0.0 110.193 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.23 70.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.939 0.896 . . . . 0.0 111.914 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.73 -12.2 15.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.68 0.792 . . . . 0.0 112.217 172.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -26.83 8.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.17 1.388 . . . . 0.0 110.942 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.56 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.646 169.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 2.2 pt20 -63.7 -72.91 0.13 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 121.258 1.844 . . . . 0.0 110.666 167.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -53.7 -26.87 24.88 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 127.866 2.466 . . . . 0.0 113.236 -167.06 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -49.57 -33.98 16.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.943 0.792 . . . . 0.0 112.806 173.096 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -68.84 -31.67 70.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.069 1.347 . . . . 0.0 111.482 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.43 -52.77 23.69 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mm -49.54 -24.24 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 127.832 2.453 . . . . 0.0 114.887 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.4 mm? -60.89 -19.15 59.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 123.371 2.805 . . . . 0.0 113.01 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 43' ' ' LEU . 1.2 mp -118.13 42.93 2.57 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 119.488 1.04 . . . . 0.0 109.775 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.13 -62.54 1.36 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.802 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -128.93 -61.03 1.07 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.132 0.573 . . . . 0.0 110.906 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -153.08 166.88 31.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.3 m -50.5 -38.34 43.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.117 1.367 . . . . 0.0 112.291 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -73.44 -69.72 0.41 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.609 0.641 . . . . 0.0 109.802 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -61.73 -24.7 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.757 0.789 . . . . 0.0 112.259 -163.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.5 -75.34 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.092 2.557 . . . . 0.0 111.741 166.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -40.39 54.35 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.158 0.583 . . . . 0.0 109.797 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.0 -50.49 68.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.099 0.559 . . . . 0.0 109.892 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -68.1 -26.02 65.61 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.651 -0.656 . . . . 0.0 112.091 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -36.15 68.19 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.906 0.775 . . . . 0.0 111.144 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HD23 ' A' ' 19' ' ' LEU . 3.3 t -70.2 -43.36 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.481 173.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -40.92 89.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.162 1.347 . . . . 0.0 114.037 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -55.52 8.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 118.166 0.439 . . . . 0.0 109.887 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD22 HD21 ' A' ' 15' ' ' LEU . 1.7 mp -69.54 -31.18 69.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.754 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -54.48 -55.34 29.97 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.172 0.897 . . . . 0.0 110.183 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.42 -25.1 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 122.928 0.491 . . . . 0.0 110.513 -171.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -71.9 -32.23 67.19 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.951 1.7 . . . . 0.0 111.487 176.071 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -30.38 60.34 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.522 1.51 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 t -52.42 -63.51 1.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.829 1.652 . . . . 0.0 109.754 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.4 ptm -68.82 -25.25 64.58 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.01 0.524 . . . . 0.0 111.54 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -9.38 42.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.764 0.826 . . . . 0.0 111.173 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.45 36.27 1.95 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 124.337 0.97 . . . . 0.0 111.969 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.56 157.23 17.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.374 1.087 . . . . 0.0 108.465 164.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.55 -50.79 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 159.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.23 42.21 1.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.295 1.438 . . . . 0.0 110.242 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.34 -54.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 CA-C-O 116.166 -1.873 . . . . 0.0 107.516 161.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -38.11 -68.0 0.17 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.184 1.811 . . . . 0.0 113.39 -165.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -78.22 -27.41 47.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.235 0.925 . . . . 0.0 113.294 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -66.9 -10.3 47.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.078 0.551 . . . . 0.0 110.154 171.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.429 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.9 t -111.86 -32.19 6.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.7 -35.26 30.25 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 120.554 1.525 . . . . 0.0 111.001 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.75 -54.03 32.62 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 123.321 1.534 . . . . 0.0 109.475 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.15 2.65 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 128.14 2.576 . . . . 0.0 115.508 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 74' ' ' CYS . 2.9 pp -140.67 -53.1 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.056 1.298 . . . . 0.0 111.025 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.13 -30.72 66.85 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.265 -1.522 . . . . 0.0 111.118 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -93.38 1.34 56.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 119.477 -2.014 . . . . 0.0 111.925 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -61.92 2.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 161.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.95 15.4 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.31 -158.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.308 25.2 p 54.74 26.32 7.46 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 -27.27 0.97 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.229 1.412 . . . . 0.0 114.387 -169.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.4 HE22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 116.357 -1.782 . . . . 0.0 113.134 -158.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.19 49.29 20.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.178 1.391 . . . . 0.0 111.541 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -63.55 -65.38 0.69 Allowed 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 124.87 1.268 . . . . 0.0 111.792 -165.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -146.3 104.91 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.492 1.917 . . . . 0.0 107.681 -162.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 9.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.727 -155.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp 72.82 -27.05 0.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.176 2.591 . . . . 0.0 113.287 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' HA ' HG22 ' A' ' 13' ' ' VAL . 64.7 m -129.49 1.24 5.03 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.751 1.62 . . . . 0.0 112.218 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -48.35 -55.24 11.24 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 125.816 1.647 . . . . 0.0 109.255 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -105.52 37.68 2.16 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.531 0.732 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.2 m -119.66 -40.75 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 120.712 -1.243 . . . . 0.0 111.285 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.294 23.0 m -57.58 -51.39 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 119.327 0.967 . . . . 0.0 112.38 -167.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.35 -30.14 60.16 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.696 -1.252 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.4 -8.02 7.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.984 0.914 . . . . 0.0 112.613 168.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -120.75 1.03 10.49 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.985 1.314 . . . . 0.0 111.977 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.67 -24.67 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -70.72 0.78 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 118.666 0.666 . . . . 0.0 109.785 -172.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -21.43 3.84 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 172.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -44.69 -34.4 2.21 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.448 1.499 . . . . 0.0 110.906 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.72 -61.38 0.54 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.853 1.661 . . . . 0.0 111.056 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.29 66.36 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -160.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.252 7.7 p -136.81 48.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 124.019 0.928 . . . . 0.0 110.65 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -12.18 61.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.31 0.644 . . . . 0.0 110.425 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 87.26 0.3 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 166.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.3 m -60.27 153.51 22.24 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.503 -0.748 . . . . 0.0 110.162 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 t -162.03 -169.91 2.35 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.592 2.757 . . . . 0.0 104.794 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -92.47 -11.5 34.51 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.792 -1.099 . . . . 0.0 112.109 155.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD11 ' SD ' ' A' ' 64' ' ' MET . 20.9 tp -62.46 -67.54 0.41 Allowed 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.556 1.071 . . . . 0.0 110.695 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -37.28 63.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.397 -0.814 . . . . 0.0 110.788 175.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.77 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.636 0.774 . . . . 0.0 110.757 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.54 -21.46 65.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.5 1.52 . . . . 0.0 112.967 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.7 -45.25 14.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 119.678 1.126 . . . . 0.0 110.874 158.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -52.96 -38.56 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.925 -166.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.15 -14.7 0.46 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.38 -29.39 10.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.198 2.199 . . . . 0.0 110.388 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -53.14 -37.3 61.7 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 122.519 2.418 . . . . 0.0 113.074 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -63.15 -27.24 69.24 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.673 1.589 . . . . 0.0 110.795 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.0 t0 -79.86 -44.7 20.01 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.448 1.099 . . . . 0.0 110.488 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 14.0 mm -57.53 -15.27 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 128.298 2.639 . . . . 0.0 112.041 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -22.55 60.01 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 122.437 2.38 . . . . 0.0 113.059 174.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.75 53.96 1.24 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.927 1.691 . . . . 0.0 107.777 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -68.27 -47.61 67.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.33 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 -68.74 0.25 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.944 1.298 . . . . 0.0 107.986 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -133.15 158.29 43.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.788 2.035 . . . . 0.0 107.571 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -53.85 -34.49 59.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.715 1.143 . . . . 0.0 113.403 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.0 m -77.77 -68.51 0.62 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.616 0.766 . . . . 0.0 109.129 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.81 -14.37 21.29 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.481 1.113 . . . . 0.0 112.719 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -63.76 -75.8 0.08 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.245 2.618 . . . . 0.0 113.047 162.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -34.83 70.29 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.058 -0.401 . . . . 0.0 110.156 -173.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -53.01 -50.73 63.62 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.267 1.027 . . . . 0.0 109.724 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.52 -36.85 83.88 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.009 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.56 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.3 ttt -52.74 -17.6 1.42 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.468 2.707 . . . . 0.0 112.523 170.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.64 -24.77 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 O-C-N 119.874 -1.766 . . . . 0.0 108.135 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -59.97 4.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 126.13 1.772 . . . . 0.0 114.317 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -47.7 -53.59 14.61 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 126.055 1.742 . . . . 0.0 112.06 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' H ' HD12 ' A' ' 57' ' ' LEU 0.287 3.7 mp -58.01 -36.57 72.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 117.058 -1.857 . . . . 0.0 112.224 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -1.15 4.7 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 p -120.22 -31.01 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 122.257 2.299 . . . . 0.0 111.831 169.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -56.9 -34.88 68.36 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.741 -1.225 . . . . 0.0 108.855 164.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.85 -15.72 13.9 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.213 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 65.5 m -55.76 -12.28 1.25 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.104 1.362 . . . . 0.0 114.347 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 30' ' ' LEU . 2.3 ptt? -120.11 -33.42 3.94 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.603 1.561 . . . . 0.0 113.368 171.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -56.63 -42.18 78.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.936 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.8 68.2 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -150.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 63' ' ' SER . . . -108.76 -138.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.736 1.614 . . . . 0.0 109.866 166.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.402 0.9 OUTLIER 57.66 -30.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 1 C-N-CA 131.977 4.111 . . . . 0.0 113.046 -162.094 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -120.62 66.2 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 128.5 2.72 . . . . 0.0 106.356 167.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tp -140.82 6.6 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 165.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -81.18 -71.1 0.49 Allowed 'General case' 0 C--O 1.222 -0.354 0 O-C-N 120.46 -1.4 . . . . 0.0 108.494 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.5 -53.02 25.94 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.933 . . . . 0.0 112.768 -165.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -66.23 1.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.978 174.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.0 t -116.38 -17.33 10.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 120.39 1.45 . . . . 0.0 112.524 168.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -28.72 65.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 121.649 2.022 . . . . 0.0 110.053 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.8 -4.47 37.89 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 mtt -121.13 -0.56 9.94 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.142 3.377 . . . . 0.0 112.904 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.19 -71.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 -174.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -48.86 79.02 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.292 1.037 . . . . 0.0 108.389 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.05 -0.6 19.5 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.258 1.423 . . . . 0.0 113.848 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -71.48 -46.29 60.25 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.653 -1.279 . . . . 0.0 109.77 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.525 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -164.98 21.94 0.05 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.889 1.675 . . . . 0.0 111.26 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.6 p 49.55 53.75 12.17 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.246 1.418 . . . . 0.0 112.837 -172.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tp -154.51 -32.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.525 HE22 ' HB3' ' A' ' 82' ' ' ALA . 26.7 mp0 . . . . . 0 C--O 1.247 0.941 0 C-N-CA 129.547 3.139 . . . . 0.0 110.805 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -138.19 95.02 2.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 107.367 -161.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.253 1.5 p -66.18 64.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.482 3.513 . . . . 0.0 113.81 -173.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 80.46 130.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 1 C-N-CA 132.183 4.193 . . . . 0.0 110.122 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.15 101.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 124.172 1.939 . . . . 0.0 106.657 -175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -76.65 15.67 0.6 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.175 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.7 m -134.73 -82.12 0.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.774 1.63 . . . . 0.0 109.97 -168.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.267 54.3 m 64.49 -103.59 0.11 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.864 -1.065 . . . . 0.0 109.53 174.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -89.32 38.2 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.506 1.957 . . . . 0.0 111.733 -173.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 m -108.89 -53.11 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.089 -1.007 . . . . 0.0 110.505 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.17 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 125.348 1.459 . . . . 0.0 110.458 -169.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.1 tt -63.57 -36.32 83.42 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.864 -0.523 . . . . 0.0 109.888 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 20' ' ' GLN . 4.0 mp -64.76 -17.89 64.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.241 1.016 . . . . 0.0 111.078 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -100.97 0.61 38.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.86 2.064 . . . . 0.0 112.794 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -116.66 -73.42 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 124.929 1.292 . . . . 0.0 110.242 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -90.66 -64.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -161.002 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.24 -25.6 34.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.394 173.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -35.83 -41.61 0.23 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.166 2.586 . . . . 0.0 112.013 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -34.36 0.93 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.336 1.054 . . . . 0.0 112.48 173.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -77.97 0.09 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 119.427 1.012 . . . . 0.0 109.122 -171.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.84 54.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.614 1.165 . . . . 0.0 109.435 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.09 -24.31 53.11 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -173.67 162.48 4.11 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 127.688 2.395 . . . . 0.0 107.99 152.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -175.54 121.45 0.19 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 156.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 19.9 t 54.23 -163.46 0.11 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.237 1.415 . . . . 0.0 111.595 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -85.21 -2.01 57.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 117.887 -1.054 . . . . 0.0 111.297 151.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -46.01 -68.31 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.775 1.63 . . . . 0.0 110.033 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.441 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.839 0.828 . . . . 0.0 110.415 -177.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.23 -28.13 69.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.655 1.582 . . . . 0.0 111.954 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -32.42 70.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.399 1.079 . . . . 0.0 111.436 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.05 -32.06 20.18 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.503 1.047 . . . . 0.0 110.521 168.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.27 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-O 117.216 -1.373 . . . . 0.0 111.957 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.97 -70.77 0.25 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.026 1.739 . . . . 0.0 109.558 165.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -28.21 13.67 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 127.438 2.295 . . . . 0.0 113.613 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -52.32 -25.02 8.53 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 121.338 1.881 . . . . 0.0 112.81 170.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.1 t30 -65.62 -43.62 88.97 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.082 1.353 . . . . 0.0 110.349 172.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.63 -11.49 60.87 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 119.95 -1.719 . . . . 0.0 111.116 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.75 -15.04 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 119.912 -1.743 . . . . 0.0 111.567 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -55.42 -33.37 63.49 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 122.446 2.384 . . . . 0.0 111.308 -178.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -113.23 56.43 0.69 Allowed 'General case' 0 C--N 1.342 0.245 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.24 -36.24 24.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.52 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.59 -69.57 0.11 Allowed 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.326 1.05 . . . . 0.0 108.576 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -146.88 166.5 26.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 125.98 1.712 . . . . 0.0 107.605 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -60.11 -29.28 68.5 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.462 -0.78 . . . . 0.0 113.017 -168.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.8 m -78.33 -67.79 0.7 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.73 -30.8 23.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.073 1.749 . . . . 0.0 115.082 -172.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -56.31 -86.21 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.311 1.844 . . . . 0.0 110.108 168.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -34.85 13.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.641 0.776 . . . . 0.0 111.482 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.15 -56.74 17.86 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.392 1.077 . . . . 0.0 111.155 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -61.14 -26.07 67.43 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.756 1.162 . . . . 0.0 110.644 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.454 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.86 -27.41 67.51 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -174.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t -85.26 -38.8 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 125.269 1.428 . . . . 0.0 107.924 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -29.87 61.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.978 -166.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.8 -56.95 6.26 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 164.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD21 ' A' ' 15' ' ' LEU . 2.4 mp -61.44 -29.48 69.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.731 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -35.96 76.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.398 1.454 . . . . 0.0 113.012 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.9 -38.4 14.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.884 0.473 . . . . 0.0 110.136 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -62.35 -31.15 71.75 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.939 1.695 . . . . 0.0 110.663 174.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.5 -29.12 23.41 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.182 0.993 . . . . 0.0 111.09 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -66.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.12 1.368 . . . . 0.0 109.643 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.4 ' HG3' HD21 ' A' ' 30' ' ' LEU . 17.4 ptm -65.45 -27.83 68.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.26 0.553 . . . . 0.0 111.423 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.27 51.84 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.726 1.21 . . . . 0.0 110.293 173.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.51 17.23 0.98 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.639 1.59 . . . . 0.0 113.223 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 157.49 15.92 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 119.306 1.553 . . . . 0.0 110.268 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.84 -59.51 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.038 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -133.39 74.7 1.57 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.414 -2.81 . . . . 0.0 103.414 -168.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 tp -145.55 6.64 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.257 0.623 . . . . 0.0 112.001 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.29 -77.12 0.24 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 159.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -58.26 -60.03 4.4 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.887 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -62.76 -13.87 38.06 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.006 0.923 . . . . 0.0 112.742 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.26 -34.63 20.34 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.665 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 15.3 mt-10 -52.48 -29.32 24.25 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.17 1.788 . . . . 0.0 109.878 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.76 -1.53 28.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.689 2.395 . . . . 0.0 113.145 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 mtt -120.98 -54.5 2.02 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 127.221 2.208 . . . . 0.0 109.671 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' ' 75' ' ' GLU . 2.0 pp -66.76 -50.71 61.85 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 125.257 1.423 . . . . 0.0 108.944 -168.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.39 -47.55 85.28 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -70.73 3.53 3.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.748 -1.845 . . . . 0.0 115.562 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -45.46 27.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.739 -1.851 . . . . 0.0 109.786 174.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.49 4.34 0.43 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 124.117 0.886 . . . . 0.0 113.369 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 p 61.31 7.89 1.89 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.549 2.34 . . . . 0.0 114.193 -163.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.92 -24.2 2.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.759 1.224 . . . . 0.0 113.117 -158.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 126.022 1.729 . . . . 0.0 110.427 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.8 46.86 15.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.936 2.095 . . . . 0.0 108.595 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -66.24 -51.47 57.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.014 0.926 . . . . 0.0 110.702 -167.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.18 112.8 3.86 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 127.206 2.203 . . . . 0.0 105.799 -168.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.81 10.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 126.194 1.798 . . . . 0.0 107.685 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt 72.59 -42.45 0.53 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 130.257 3.423 . . . . 0.0 110.91 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.45 17.87 18.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.177 1.791 . . . . 0.0 112.586 -171.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -46.62 -65.65 0.52 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 125.366 1.466 . . . . 0.0 113.362 -169.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -89.22 35.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.389 1.476 . . . . 0.0 111.155 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.3 -41.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.847 2.059 . . . . 0.0 109.088 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.0 -7.64 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -174.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -120.58 -27.14 5.18 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.172 1.389 . . . . 0.0 113.247 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -37.36 82.28 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 108.969 167.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.56 1.98 39.42 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.382 -0.824 . . . . 0.0 112.125 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.2 t -122.01 -28.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -71.13 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.571 1.532 . . . . 0.0 110.82 -168.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -53.17 -17.11 1.45 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.819 1.248 . . . . 0.0 113.978 167.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.57 -24.96 15.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.284 1.433 . . . . 0.0 111.472 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.97 -71.78 0.42 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.953 1.701 . . . . 0.0 107.073 156.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -42.21 -76.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.456 1.902 . . . . 0.0 114.647 -161.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.8 74.04 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 122.909 1.338 . . . . 0.0 107.679 -172.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -51.49 156.51 1.26 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.932 2.493 . . . . 0.0 110.385 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.66 136.63 13.12 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -163.29 -177.92 5.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.179 2.192 . . . . 0.0 106.773 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.5 p -158.48 28.89 0.24 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.431 1.093 . . . . 0.0 111.762 166.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 5.8 tppt? -103.82 -101.07 0.3 Allowed 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.013 -1.054 . . . . 0.0 110.133 -174.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.05 -30.62 31.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.387 1.475 . . . . 0.0 109.484 -169.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -63.48 -44.23 94.98 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 120.8 -1.187 . . . . 0.0 109.558 175.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.95 -39.81 75.26 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.686 1.194 . . . . 0.0 109.347 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 0.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.559 1.944 . . . . 0.0 115.245 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -132.0 -24.24 2.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 122.278 2.308 . . . . 0.0 109.134 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 2.4 m -56.3 -40.09 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.466 165.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.587 HE21 HD23 ' A' ' 37' ' ' LEU . 1.7 pt20 -56.56 -8.36 0.54 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.918 2.087 . . . . 0.0 116.395 175.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.587 HD23 HE21 ' A' ' 36' ' ' GLN . 1.1 mm? -109.09 -26.54 10.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.896 1.278 . . . . 0.0 111.137 173.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -56.87 -35.88 69.42 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.699 1.59 . . . . 0.0 112.638 -173.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -59.11 -41.89 89.21 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.082 2.953 . . . . 0.0 109.926 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.27 -36.57 66.37 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.445 176.296 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.48 -22.2 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 116.946 -1.502 . . . . 0.0 112.148 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -17.42 29.98 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 123.219 2.736 . . . . 0.0 114.219 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -120.52 58.0 0.94 Allowed 'General case' 0 C--O 1.237 0.424 0 C-N-CA 127.853 2.461 . . . . 0.0 109.197 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.69 109.17 16.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.55 -68.38 0.19 Allowed 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 126.172 1.789 . . . . 0.0 110.172 -171.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -166.5 164.48 17.15 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.404 1.881 . . . . 0.0 108.403 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -57.56 -28.08 63.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.421 1.489 . . . . 0.0 113.734 -171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.7 m -70.96 -69.67 0.35 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.665 1.12 . . . . 0.0 109.303 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.37 -24.79 66.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.181 1.393 . . . . 0.0 111.8 -164.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.32 -86.56 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 129.147 2.979 . . . . 0.0 111.626 163.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -56.1 -32.59 64.31 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 111.208 -171.258 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.67 -56.23 16.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.2 1.4 . . . . 0.0 109.242 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.93 -30.07 68.45 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.453 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.4 ttt -49.82 -41.08 44.0 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.928 1.24 . . . . 0.0 112.403 173.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.18 -39.74 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.4 t -70.47 -47.03 62.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -44.01 -49.61 8.6 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.498 1.045 . . . . 0.0 109.991 173.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 35' ' ' VAL . 5.6 mt -67.8 -41.05 83.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.228 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -61.11 -31.0 70.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.535 1.061 . . . . 0.0 113.608 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.89 -37.43 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 119.281 0.946 . . . . 0.0 111.284 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -62.51 -29.35 70.49 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 126.274 1.83 . . . . 0.0 110.196 174.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.7 45.67 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 124.65 1.18 . . . . 0.0 109.829 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -54.24 -59.78 4.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.345 1.058 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.3 ptp -74.81 -21.32 59.36 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.814 1.245 . . . . 0.0 112.186 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -62.07 -40.86 97.25 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 172.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.35 68.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 128.042 2.734 . . . . 0.0 111.004 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.35 86.84 1.49 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 117.989 0.894 . . . . 0.0 112.001 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.97 -29.94 48.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.11 -0.994 . . . . 0.0 111.499 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -117.9 62.68 0.75 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.381 1.086 . . . . 0.0 109.108 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -144.85 15.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.199 165.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.11 -75.36 0.44 Allowed 'General case' 0 C--N 1.339 0.143 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -66.01 -58.52 5.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.893 0.769 . . . . 0.0 111.764 -173.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.78 -5.79 2.23 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -177.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -19.58 13.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.311 -1.328 . . . . 0.0 111.934 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.85 66.68 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 121.499 1.954 . . . . 0.0 109.968 174.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.99 -15.46 56.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.795 1.638 . . . . 0.0 110.455 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.1 ttm -107.81 -54.43 2.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.273 1.829 . . . . 0.0 109.502 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -51.77 14.32 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.905 1.23 . . . . 0.0 110.302 -170.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.12 -38.8 86.22 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.249 1.019 . . . . 0.0 109.319 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -18.36 62.34 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.036 -1.665 . . . . 0.0 112.572 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.23 73.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 120.781 -1.199 . . . . 0.0 109.196 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.31 3.57 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p 47.69 32.46 2.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.01 1.324 . . . . 0.0 113.107 -164.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -151.41 -59.25 0.17 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.256 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 130.243 3.417 . . . . 0.0 110.869 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.253 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.3 tpt -149.74 48.52 0.94 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -71.37 -38.81 71.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 120.365 -1.46 . . . . 0.0 111.978 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -160.13 104.41 1.49 Allowed 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.89 18.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 128.69 2.796 . . . . 0.0 106.546 -172.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 71.11 -31.06 0.22 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 129.726 3.21 . . . . 0.0 113.824 173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.48 60.62 1.66 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.938 1.295 . . . . 0.0 107.885 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.9 p -75.2 -92.81 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 p -94.04 35.16 1.18 Allowed 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.745 -1.222 . . . . 0.0 109.375 -171.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.67 -35.46 3.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 C-N-CA 124.538 1.135 . . . . 0.0 109.096 -175.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.255 35.2 m -61.79 -45.15 99.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 C-N-CA 123.201 0.601 . . . . 0.0 111.162 -167.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 58' ' ' LEU . 28.1 tp -74.42 -27.94 60.85 Favored 'General case' 0 N--CA 1.461 0.094 0 O-C-N 120.121 -1.612 . . . . 0.0 111.712 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.32 -15.43 63.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.569 0.748 . . . . 0.0 111.231 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -101.28 -0.26 36.05 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.975 1.71 . . . . 0.0 111.971 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.18 -69.55 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.94 0.896 . . . . 0.0 111.178 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -72.69 0.34 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -169.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -48.27 -33.55 8.92 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -41.74 -28.8 0.16 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 128.676 2.79 . . . . 0.0 113.192 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.06 -22.61 0.45 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.64 1.576 . . . . 0.0 113.427 161.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -77.55 -74.48 0.25 Allowed 'General case' 0 C--O 1.227 -0.089 0 O-C-N 120.849 -1.157 . . . . 0.0 110.639 -168.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.11 63.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 127.772 2.429 . . . . 0.0 107.568 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.51 120.84 6.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.518 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -51.88 75.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.485 3.114 . . . . 0.0 114.715 -158.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -137.28 53.96 1.86 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.05 2.14 . . . . 0.0 109.392 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -154.75 154.19 32.44 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.262 0.625 . . . . 0.0 110.122 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -34.02 13.73 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.432 0.693 . . . . 0.0 110.882 153.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -53.17 47.94 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 111.061 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.406 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.38 -38.94 91.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.463 0.649 . . . . 0.0 110.086 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.05 73.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.184 1.393 . . . . 0.0 111.72 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.1 0.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.637 1.975 . . . . 0.0 113.458 166.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -28.3 1.62 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 120.98 1.718 . . . . 0.0 106.945 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.33 -35.4 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.452 167.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -53.39 -41.26 65.75 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.209 . . . . 0.0 111.737 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -77.06 -39.5 49.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 128.687 2.795 . . . . 0.0 110.299 -179.395 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -36.17 55.0 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.294 0.952 . . . . 0.0 110.619 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -66.47 -23.11 66.22 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 123.738 0.815 . . . . 0.0 112.417 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -47.5 11.95 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.483 -0.761 . . . . 0.0 109.929 169.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.87 -28.56 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 116.769 -1.586 . . . . 0.0 111.477 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -37.91 10.01 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 116.124 -1.893 . . . . 0.0 113.385 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 54.1 mt -110.75 52.37 0.74 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 119.943 1.247 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.58 96.94 6.94 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.666 1.186 . . . . 0.0 109.694 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? 66.77 -58.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 128.352 2.661 . . . . 0.0 114.775 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.8 143.68 27.66 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 m -57.14 -20.49 26.31 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.83 0.741 . . . . 0.0 111.524 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -60.97 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.261 1.424 . . . . 0.0 110.396 162.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.29 -21.12 64.97 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.967 1.707 . . . . 0.0 112.765 -166.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 129.408 3.083 . . . . 0.0 110.918 163.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -58.76 -30.42 67.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -167.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -48.27 -55.64 10.04 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.425 1.49 . . . . 0.0 107.596 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -68.07 -28.69 67.59 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.8 ttt -61.51 -20.88 63.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.552 2.341 . . . . 0.0 111.806 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.1 t -100.42 -21.41 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 119.604 1.093 . . . . 0.0 109.254 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB2' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -53.61 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 127.465 2.306 . . . . 0.0 112.884 -178.009 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -33.85 -64.92 0.2 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.124 2.569 . . . . 0.0 110.425 170.59 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 15' ' ' LEU . 4.0 mp -63.21 -25.52 68.37 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.029 -1.462 . . . . 0.0 113.763 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 62' ' ' LEU . 50.3 m -63.67 -49.76 71.91 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.508 1.504 . . . . 0.0 110.926 174.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.3 p -75.96 -39.59 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.259 0.624 . . . . 0.0 110.632 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.38 -32.3 73.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.973 1.709 . . . . 0.0 109.68 179.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -67.23 -20.62 65.7 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 120.644 1.565 . . . . 0.0 110.613 179.222 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -58.94 -52.65 64.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.2 ptp -71.32 -23.94 62.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -24.53 64.42 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.31 53.6 0.19 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 126.391 1.948 . . . . 0.0 110.909 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . -78.73 172.42 13.75 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.828 1.314 . . . . 0.0 109.91 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.514 HG23 ' H ' ' A' ' 69' ' ' ASP . 5.9 m -80.63 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 157.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -132.15 98.04 4.31 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -176.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.463 HG21 HD21 ' A' ' 62' ' ' LEU . 7.3 tp -149.47 1.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 126.596 1.959 . . . . 0.0 111.13 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -66.27 -80.05 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 159.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -58.28 -52.53 65.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.988 1.315 . . . . 0.0 113.494 -162.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -70.04 -13.47 62.24 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 111.078 -178.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.71 -27.44 20.08 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 117.007 -1.473 . . . . 0.0 109.25 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.12 -21.4 22.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.36 1.891 . . . . 0.0 112.916 173.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -77.99 -61.73 1.9 Allowed 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 164.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.9 ttm -48.96 -45.84 42.61 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 117.648 -1.167 . . . . 0.0 112.628 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.04 -60.7 2.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.562 2.345 . . . . 0.0 109.6 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.41 -34.2 70.5 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 122.795 1.284 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -20.41 44.5 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 119.488 -2.008 . . . . 0.0 112.274 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -48.34 63.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 120.336 -1.478 . . . . 0.0 107.904 178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 2.9 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 -165.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.291 25.5 p 49.36 25.93 1.45 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.13 0.967 . . . . 0.0 111.523 -163.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -145.89 -82.06 0.14 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 -172.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--O 1.248 1.011 0 C-N-CA 129.396 3.078 . . . . 0.0 110.288 -174.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 4' ' ' LYS 0.256 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.558 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 25.3 ttm -78.45 86.69 4.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.479 1.512 . . . . 0.0 108.405 -170.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -75.36 -61.07 2.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.993 0.902 . . . . 0.0 110.327 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -161.3 110.41 1.59 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.185 1.394 . . . . 0.0 107.321 -159.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.91 -1.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 125.022 1.329 . . . . 0.0 109.612 -171.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt 69.9 138.34 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 129.557 3.143 . . . . 0.0 109.026 -172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.0 m 43.46 55.82 4.66 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.478 0.711 . . . . 0.0 110.83 -169.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -66.24 -85.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.119 0.961 . . . . 0.0 110.545 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -89.92 36.64 0.86 Allowed 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.61 -1.306 . . . . 0.0 110.094 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.62 -25.83 2.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 O-C-N 120.814 -1.179 . . . . 0.0 110.359 -173.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.269 33.3 m -53.27 -41.98 45.42 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 118.045 0.384 . . . . 0.0 111.614 -177.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 38' ' ' HIS . 26.7 tp -72.26 -31.71 66.02 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.593 -1.317 . . . . 0.0 112.446 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.06 -9.88 58.79 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.63 1.572 . . . . 0.0 112.504 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -117.84 1.25 12.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.887 1.275 . . . . 0.0 111.635 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.02 -54.5 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 55' ' ' VAL . 1.2 mm? -86.75 -73.29 0.47 Allowed 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -28.45 36.05 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -172.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -51.59 -26.09 8.13 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.655 2.382 . . . . 0.0 111.45 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 -43.98 1.79 Allowed 'General case' 0 C--N 1.344 0.349 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 161.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -73.79 -25.09 59.96 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 121.313 1.869 . . . . 0.0 115.37 -164.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' A' ' 31' ' ' TRP . 58.4 t -123.6 -104.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.25 2.5 tt0 82.41 102.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.155 2.982 . . . . 0.0 110.871 175.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m 46.67 54.14 9.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.987 2.515 . . . . 0.0 112.62 169.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -91.91 -60.41 1.87 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.058 1.743 . . . . 0.0 110.99 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -161.69 157.22 24.11 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.563 1.545 . . . . 0.0 108.302 -175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -68.04 -8.28 36.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.143 166.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD23 HE21 ' A' ' 65' ' ' GLN . 44.2 tp -53.42 -48.31 68.84 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 120.787 1.63 . . . . 0.0 110.003 166.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -58.14 -51.5 69.45 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.39 64.32 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 125.979 1.712 . . . . 0.0 112.619 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.43 -16.76 6.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.003 1.721 . . . . 0.0 112.291 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -112.71 -17.28 12.61 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.895 1.278 . . . . 0.0 112.65 171.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 31' ' ' TRP . 46.5 t -64.24 -45.63 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.106 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.859 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.61 -56.09 3.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.313 1.415 . . . . 0.0 111.932 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.94 63.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.532 1.133 . . . . 0.0 112.2 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -56.96 -42.58 80.4 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.172 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.35 -44.54 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -76.94 -28.66 55.3 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.93 -173.121 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.48 -26.81 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 126.246 1.818 . . . . 0.0 110.731 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -30.68 67.66 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 122.374 2.352 . . . . 0.0 113.116 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.19 53.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.789 0.681 . . . . 0.0 109.592 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.81 -61.88 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -130.67 -73.02 0.55 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.496 1.119 . . . . 0.0 108.946 -171.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.93 157.73 45.79 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 129.603 3.161 . . . . 0.0 104.116 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.9 m -58.47 -18.9 32.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.737 1.215 . . . . 0.0 112.032 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -71.49 -84.47 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.686 1.194 . . . . 0.0 108.288 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.26 -15.47 62.53 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -164.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.156 1.783 . . . . 0.0 110.468 160.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.77 -35.11 65.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.889 0.476 . . . . 0.0 111.167 -171.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -48.31 -54.21 14.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.015 0.926 . . . . 0.0 109.804 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -69.23 -30.97 69.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.347 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.414 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.9 ttt -52.36 -33.74 44.38 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.896 1.225 . . . . 0.0 112.422 171.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 19' ' ' LEU . 73.0 t -75.78 -47.67 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.7 t -59.8 -44.74 93.82 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -170.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -49.7 38.01 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.26 0.624 . . . . 0.0 110.993 173.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 15' ' ' LEU . 1.1 mt -69.76 -31.33 69.23 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.328 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -63.52 -41.34 98.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.288 1.035 . . . . 0.0 112.169 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.36 -37.54 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 121.702 -0.624 . . . . 0.0 110.798 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -64.49 -29.82 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.349 -1.469 . . . . 0.0 110.263 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.73 -33.5 23.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 110.294 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -53.58 -66.14 0.44 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.77 1.228 . . . . 0.0 110.132 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.1 ptp -63.68 -26.82 68.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.749 1.22 . . . . 0.0 112.235 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.489 HE21 HD23 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.9 -13.33 59.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 122.969 0.508 . . . . 0.0 111.207 175.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.6 41.52 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 C-N-CA 126.252 1.882 . . . . 0.0 110.958 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.59 55.74 1.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 119.183 1.491 . . . . 0.0 109.973 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 p -53.66 -34.69 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.727 -0.608 . . . . 0.0 111.648 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -97.64 77.66 2.58 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' ILE . 6.1 tp -146.13 30.22 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.752 156.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -108.61 -72.44 0.72 Allowed 'General case' 0 N--CA 1.462 0.141 0 O-C-N 121.229 -0.919 . . . . 0.0 109.579 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.96 -51.82 62.57 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.931 -1.106 . . . . 0.0 112.99 -173.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -69.58 -0.18 6.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.518 1.127 . . . . 0.0 113.125 172.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 t -109.77 -11.08 14.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 115.563 -2.161 . . . . 0.0 110.608 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -29.46 7.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 121.361 1.891 . . . . 0.0 111.805 -171.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.32 -3.77 1.02 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.23 -1.27 10.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.087 1.355 . . . . 0.0 110.831 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 -65.71 1.03 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.026 1.331 . . . . 0.0 108.422 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.96 -47.46 65.57 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 125.267 1.427 . . . . 0.0 109.396 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -75.39 -12.59 60.29 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.09 -1.631 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.44 -51.72 58.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.922 0.889 . . . . 0.0 109.358 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.63 10.46 0.1 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.119 1.368 . . . . 0.0 111.197 -170.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.287 43.9 p 61.33 13.29 4.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.047 1.739 . . . . 0.0 114.326 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 -24.3 0.64 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.873 0.869 . . . . 0.0 113.232 -166.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.245 0.86 0 C-N-CA 127.973 2.509 . . . . 0.0 111.98 -161.011 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.54 0 CA-C-O 118.996 -0.525 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.38 70.2 1.43 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -76.9 104.67 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 120.638 -1.289 . . . . 0.0 107.678 171.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.378 0.5 OUTLIER 47.21 115.1 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.043 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 -173.098 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.72 26.57 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.524 1.93 . . . . 0.0 108.273 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 76.91 -60.07 0.47 Allowed 'General case' 0 C--N 1.343 0.3 0 C-N-CA 128.961 2.904 . . . . 0.0 110.324 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' HB2' HG23 ' A' ' 14' ' ' VAL . 25.3 p -80.53 -2.79 47.6 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.39 1.076 . . . . 0.0 113.531 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 12' ' ' SER . 10.2 t -24.94 -74.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.871 2.868 . . . . 0.0 112.671 -171.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.455 ' H ' HG23 ' A' ' 11' ' ' THR . 36.0 p -119.69 37.42 4.19 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.833 0.853 . . . . 0.0 110.265 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.0 m -94.53 -50.52 11.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 165.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 10' ' ' CYS . 24.8 t -51.71 -66.9 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 C-N-CA 126.256 1.823 . . . . 0.0 110.551 -175.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 tp -69.57 -28.51 66.04 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.919 -1.112 . . . . 0.0 110.95 -168.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.05 -7.0 46.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 -0.08 10.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.723 2.009 . . . . 0.0 111.82 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.74 -29.99 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 O-C-N 120.162 -1.586 . . . . 0.0 112.175 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.699 HD13 HH11 ' A' ' 23' ' ' ARG . 1.0 OUTLIER -108.0 -72.76 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.451 1.023 . . . . 0.0 108.685 -176.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -13.92 6.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -35.11 -38.39 0.09 Allowed 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 128.305 2.642 . . . . 0.0 112.318 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -26.4 0.9 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.658 0.783 . . . . 0.0 112.114 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.699 HH11 HD13 ' A' ' 19' ' ' LEU . 92.5 mtt180 -71.72 -44.96 63.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -155.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 25' ' ' GLU . 8.2 p -121.19 -175.15 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.631 1.573 . . . . 0.0 108.722 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.633 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER 95.63 111.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 1 C-N-CA 132.533 4.333 . . . . 0.0 109.693 -177.04 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -138.84 -76.03 0.37 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.29 1.036 . . . . 0.0 110.411 162.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -149.16 15.92 0.93 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.969 1.259 . . . . 0.0 112.939 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -108.85 153.28 23.74 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.874 1.215 . . . . 0.0 112.134 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -90.63 -8.76 49.21 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.656 1.183 . . . . 0.0 110.79 161.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -52.19 -49.29 64.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 120.747 1.612 . . . . 0.0 110.233 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.458 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -63.29 -45.25 92.26 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.999 0.52 . . . . 0.0 112.173 174.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.88 66.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.335 1.054 . . . . 0.0 111.06 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.06 -20.35 65.82 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 117.959 -1.02 . . . . 0.0 112.969 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -92.98 -27.15 17.2 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 120.163 1.347 . . . . 0.0 111.98 163.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.265 0.4 OUTLIER -60.22 -44.81 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 119.71 1.141 . . . . 0.0 109.297 178.316 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.97 -52.46 33.41 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.358 1.436 . . . . 0.0 114.514 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.41 -17.5 64.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.659 1.584 . . . . 0.0 113.033 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -56.85 -29.69 63.11 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 121.781 2.082 . . . . 0.0 110.69 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -72.35 -5.78 38.74 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.971 0.908 . . . . 0.0 112.841 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.41 -36.9 5.66 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.345 -1.472 . . . . 0.0 112.982 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.43 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 19.7 mm -53.41 -14.67 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 110.859 171.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -35.0 62.71 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 122.299 2.318 . . . . 0.0 110.479 170.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.8 58.33 0.61 Allowed 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.54 -48.71 9.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.354 -1.338 . . . . 0.0 110.32 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -151.58 -54.13 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.914 0.779 . . . . 0.0 112.489 -173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -155.1 160.02 40.66 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 129.194 2.998 . . . . 0.0 104.08 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.4 m -56.92 -34.31 67.82 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.052 1.751 . . . . 0.0 112.659 -174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -63.47 -74.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.38 -23.56 25.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.801 1.64 . . . . 0.0 113.032 -172.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -64.89 -81.57 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 126.773 2.029 . . . . 0.0 110.944 168.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -37.62 35.26 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 123.123 0.569 . . . . 0.0 110.914 -173.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 64.4 mt-10 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 126.717 2.007 . . . . 0.0 112.609 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -58.47 -35.4 72.12 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 120.587 1.539 . . . . 0.0 110.656 168.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.567 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.15 -29.6 61.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.796 1.18 . . . . 0.0 109.915 -172.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.1 m -76.93 -22.05 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 124.062 0.945 . . . . 0.0 111.497 170.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -83.41 -50.64 8.12 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -42.2 -42.99 3.2 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 119.428 1.013 . . . . 0.0 111.925 174.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD13 HD12 ' A' ' 57' ' ' LEU . 2.1 mp -79.83 -23.45 42.02 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -61.46 -55.12 34.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.552 1.069 . . . . 0.0 111.893 165.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.57 -42.31 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.825 0.821 . . . . 0.0 109.54 -171.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -57.62 -27.5 62.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.746 1.218 . . . . 0.0 111.587 177.044 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -29.12 65.66 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 120.391 1.451 . . . . 0.0 109.831 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -49.55 -68.02 0.21 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.478 1.911 . . . . 0.0 109.454 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.92 -28.11 68.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.105 0.962 . . . . 0.0 112.014 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -21.84 65.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 0.677 . . . . 0.0 111.55 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.66 11.65 0.29 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-O 116.943 -2.032 . . . . 0.0 114.948 -173.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.26 97.09 10.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 121.427 2.614 . . . . 0.0 110.759 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -38.41 -56.37 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.339 1.855 . . . . 0.0 109.904 164.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -148.51 106.3 3.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -24.41 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 115.865 -2.017 . . . . 0.0 110.125 155.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -44.92 -64.01 0.8 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.74 1.609 . . . . 0.0 109.932 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.02 -49.75 68.96 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.084 0.553 . . . . 0.0 111.138 -175.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.17 -21.13 30.73 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.955 1.702 . . . . 0.0 112.036 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.97 -35.02 9.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 116.43 -1.747 . . . . 0.0 107.321 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -57.54 -33.44 68.1 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 121.642 2.019 . . . . 0.0 109.877 168.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.0 -1.32 5.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.861 1.664 . . . . 0.0 111.605 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.3 mtp -115.91 -41.47 3.19 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.762 2.025 . . . . 0.0 110.321 164.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.72 -70.61 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.219 1.827 . . . . 0.0 109.21 -166.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -34.76 49.17 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 126.041 1.736 . . . . 0.0 108.325 172.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -81.44 -16.44 52.05 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -49.47 40.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.494 1.497 . . . . 0.0 108.329 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 0.89 0.23 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.6 -159.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 p 53.83 22.5 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.565 1.075 . . . . 0.0 113.564 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -152.35 -45.7 0.1 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.117 1.767 . . . . 0.0 108.602 -172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.48 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.2 ttt -132.05 65.97 1.56 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -72.35 80.02 1.02 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.879 2.471 . . . . 0.0 110.024 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.324 0.4 OUTLIER 46.16 104.37 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 128.519 2.728 . . . . 0.0 115.032 -175.219 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 t -146.2 5.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 127.644 2.378 . . . . 0.0 108.984 -158.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 71.26 155.69 0.15 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 129.455 3.102 . . . . 0.0 109.118 -173.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER 49.14 -17.68 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 130.112 3.365 . . . . 0.0 118.932 -174.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -42.35 -69.12 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 C-N-CA 127.091 2.156 . . . . 0.0 111.825 -166.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -98.2 36.38 1.6 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.345 -0.847 . . . . 0.0 111.41 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.15 -41.04 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 123.944 0.897 . . . . 0.0 110.714 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.65 -46.98 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.923 0.783 . . . . 0.0 113.048 -169.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 2.9 tt -63.92 -42.42 97.4 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.416 0.686 . . . . 0.0 109.297 175.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.22 -12.69 54.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.431 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -103.72 1.69 32.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.497 1.519 . . . . 0.0 112.106 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -120.64 -85.35 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.031 1.333 . . . . 0.0 111.615 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -60.4 2.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.474 -1.392 . . . . 0.0 110.128 -168.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.93 -35.45 10.68 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 174.142 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -36.58 29.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.854 1.261 . . . . 0.0 111.242 -175.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.52 -6.88 4.68 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.82 -66.47 0.71 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.972 1.26 . . . . 0.0 111.433 -163.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.779 HG22 ' H ' ' A' ' 25' ' ' GLU 0.299 4.1 p -84.98 -160.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 167.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.779 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -142.81 177.14 8.54 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.311 1.845 . . . . 0.0 107.461 -176.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -78.46 -8.08 58.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 25' ' ' GLU . 3.3 t -86.16 172.54 10.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.517 1.053 . . . . 0.0 110.744 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t 64.7 135.55 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.843 2.857 . . . . 0.0 112.87 -168.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -82.18 -18.49 42.55 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 116.933 -1.508 . . . . 0.0 112.299 167.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.15 -47.36 81.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 120.934 1.697 . . . . 0.0 109.471 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -54.39 -56.18 21.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.213 1.005 . . . . 0.0 111.456 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.08 73.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 127.87 2.468 . . . . 0.0 112.459 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -57.28 -28.72 63.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.542 1.137 . . . . 0.0 110.755 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -32.09 17.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.744 1.618 . . . . 0.0 112.14 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.49 -41.08 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.102 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.92 -32.53 72.02 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.4 1.455 . . . . 0.0 112.958 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -46.99 80.2 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.913 0.885 . . . . 0.0 111.097 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.33 -33.71 21.25 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.495 1.043 . . . . 0.0 110.839 176.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -66.38 -19.64 65.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.562 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -38.12 10.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 126.534 1.933 . . . . 0.0 111.763 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.6 mm -62.58 -20.4 24.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 125.288 1.435 . . . . 0.0 110.295 -169.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.469 HD21 ' SD ' ' A' ' 54' ' ' MET . 23.6 mt -54.27 -35.65 62.78 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.452 2.301 . . . . 0.0 110.717 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 48.2 mt -113.33 56.48 0.69 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 167.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.76 9.63 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -140.2 -75.41 0.34 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -137.8 161.98 35.16 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.175 1.79 . . . . 0.0 106.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -55.2 -34.92 64.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.753 1.615 . . . . 0.0 111.461 -170.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -60.86 -76.8 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.591 0.557 . . . . 0.0 110.043 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.82 -25.61 65.12 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.819 0.447 . . . . 0.0 111.808 -166.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -56.44 -83.46 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.779 2.032 . . . . 0.0 111.321 170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -36.9 42.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.845 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.5 -54.17 47.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.822 0.849 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -55.99 -35.07 66.37 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.709 -1.244 . . . . 0.0 110.957 172.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.628 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -69.78 -21.73 63.39 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.53 0.605 . . . . 0.0 110.145 -170.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.56 -41.7 29.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.862 1.265 . . . . 0.0 107.646 170.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -47.39 84.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.97 0.908 . . . . 0.0 111.89 -168.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.93 -50.54 18.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.362 0.665 . . . . 0.0 112.4 172.23 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -70.07 -23.91 63.15 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 116.636 -1.649 . . . . 0.0 112.6 -176.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.0 p -58.94 -50.61 73.4 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 121.085 1.766 . . . . 0.0 111.056 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.26 -30.8 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.073 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -63.35 -32.86 74.39 Favored 'General case' 0 C--O 1.225 -0.195 0 O-C-N 120.836 -1.165 . . . . 0.0 110.167 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -30.52 65.84 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 120.456 1.48 . . . . 0.0 109.292 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -52.88 -63.13 1.25 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.661 1.185 . . . . 0.0 109.288 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.34 -25.4 65.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.173 0.589 . . . . 0.0 112.553 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -11.83 58.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.268 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.74 4.2 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.848 2.166 . . . . 0.0 113.228 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.22 50.27 1.69 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.42 1.11 . . . . 0.0 108.717 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -50.04 -27.08 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.854 1.262 . . . . 0.0 112.714 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.38 -52.41 65.75 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.272 1.829 . . . . 0.0 110.375 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 3.7 tp -79.47 23.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 125.759 1.623 . . . . 0.0 110.346 -166.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -79.55 -70.51 0.5 Allowed 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 160.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.35 -55.93 11.78 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.436 -1.415 . . . . 0.0 114.663 -163.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.758 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -61.55 0.09 0.36 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.159 1.384 . . . . 0.0 113.184 171.193 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -100.97 -46.46 5.09 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 116.114 -1.898 . . . . 0.0 106.211 170.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.12 -25.14 12.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.547 1.976 . . . . 0.0 111.627 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -70.05 -70.14 0.31 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.602 0.761 . . . . 0.0 110.145 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.1 mmm -48.95 -40.39 30.11 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.017 1.327 . . . . 0.0 114.187 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.48 -51.0 21.99 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 127.036 2.134 . . . . 0.0 109.041 -173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.85 78.86 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 109.744 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -11.42 59.93 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 119.273 -2.142 . . . . 0.0 111.505 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -51.86 29.43 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.19 6.12 0.08 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.318 1.047 . . . . 0.0 112.396 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.7 p 57.41 30.34 18.43 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.469 1.508 . . . . 0.0 111.049 -173.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -161.0 -26.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -166.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.923 2.089 . . . . 0.0 112.146 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.37 91.26 8.06 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -77.37 78.25 3.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.397 0.279 . . . . 0.0 110.637 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.41 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 13.1 t0 65.09 151.55 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.744 2.418 . . . . 0.0 112.11 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 9' ' ' LYS . 2.4 t -154.4 -4.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.93 2.092 . . . . 0.0 110.015 -156.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 5.4 mmtt 63.65 -20.66 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.49 3.116 . . . . 0.0 114.436 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.74 9.87 7.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.277 0.944 . . . . 0.0 112.453 -157.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 t -53.25 -50.74 64.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.741 0.417 . . . . 0.0 111.258 -169.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.9 m -105.54 39.52 1.73 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.666 0.786 . . . . 0.0 110.213 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.49 -55.17 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 152.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' LEU 0.35 2.4 m -57.85 -69.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 120.964 1.711 . . . . 0.0 112.979 -166.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 23.6 tp -65.33 -32.7 74.49 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 HE21 ' A' ' 20' ' ' GLN . 0.8 OUTLIER -53.68 -21.49 7.1 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.636 1.974 . . . . 0.0 113.423 174.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -117.59 1.69 12.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.154 1.782 . . . . 0.0 112.943 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.92 -79.12 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.612 1.096 . . . . 0.0 108.689 168.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -55.1 3.86 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 123.358 1.551 . . . . 0.0 110.078 -158.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.472 HE21 HD22 ' A' ' 16' ' ' LEU . 6.5 pm0 -71.11 -3.47 20.09 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 128.242 2.617 . . . . 0.0 115.659 172.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -41.83 -52.87 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 164.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.16 -26.65 0.71 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.486 -1.245 . . . . 0.0 113.467 -174.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.48 -80.55 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 120.314 1.415 . . . . 0.0 109.353 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 31' ' ' TRP . 73.1 t -68.59 134.93 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.94 2.496 . . . . 0.0 105.209 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.09 153.21 31.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.441 -170.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 -171.16 0.18 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.481 1.912 . . . . 0.0 113.415 166.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -77.37 -28.49 52.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.247 -0.908 . . . . 0.0 112.973 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 24.39 73.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.759 2.824 . . . . 0.0 114.475 161.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -57.37 -19.26 21.88 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.374 -1.454 . . . . 0.0 113.802 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.9 tp -47.57 -60.88 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.116 1.766 . . . . 0.0 110.808 163.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -62.45 -45.61 92.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.947 0.899 . . . . 0.0 110.553 178.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.9 59.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.8 0.84 . . . . 0.0 112.173 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.23 -34.31 56.55 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.791 2.037 . . . . 0.0 113.278 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.47 -29.65 21.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.075 0.55 . . . . 0.0 110.338 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.99 -42.73 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.297 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.91 -25.8 61.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.272 1.396 . . . . 0.0 113.342 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -26.89 22.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.598 1.159 . . . . 0.0 111.483 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -32.57 49.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.357 1.435 . . . . 0.0 110.635 171.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.17 -21.33 64.9 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.496 1.518 . . . . 0.0 113.766 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -53.16 6.63 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 169.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.7 mp -51.44 -26.89 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 115.731 -2.081 . . . . 0.0 114.028 -171.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.48 17.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 123.412 2.824 . . . . 0.0 113.058 -176.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.01 51.96 0.93 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.56 3.21 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -133.02 -59.45 0.88 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.646 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -155.63 165.54 36.25 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.153 -2.165 . . . . 0.0 105.153 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -62.37 -20.7 64.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.091 1.356 . . . . 0.0 113.758 -167.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.1 m -79.72 -67.9 0.72 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -51.27 -31.31 20.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.396 2.279 . . . . 0.0 113.187 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -66.52 -72.83 0.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 130.042 3.337 . . . . 0.0 110.826 172.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -35.05 62.3 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.877 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 20.7 mt-10 -65.87 -35.81 81.69 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.399 2.279 . . . . 0.0 111.08 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.31 -40.46 86.3 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 118.948 -2.345 . . . . 0.0 109.574 163.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.698 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.17 -23.74 59.29 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.329 1.452 . . . . 0.0 111.435 -166.005 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.0 m -76.18 -43.3 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 126.552 1.941 . . . . 0.0 107.657 171.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.1 p -58.76 -47.25 85.33 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.9 -40.88 31.59 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.97 1.308 . . . . 0.0 112.131 176.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.59 -38.22 59.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.041 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.47 -25.19 67.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.047 0.939 . . . . 0.0 113.494 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 p -93.63 -2.21 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 126.156 1.782 . . . . 0.0 111.788 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.13 -26.69 11.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.135 1.774 . . . . 0.0 110.926 -177.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.7 -30.77 34.02 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.534 1.061 . . . . 0.0 110.837 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -60.73 2.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.113 1.365 . . . . 0.0 110.318 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 ptp -73.23 -23.74 60.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.485 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -31.82 72.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 118.673 0.669 . . . . 0.0 109.243 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.64 41.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.56 1.076 . . . . 0.0 113.221 -173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.11 126.1 46.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.163 1.482 . . . . 0.0 108.192 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.52 -52.75 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 120.157 1.344 . . . . 0.0 109.134 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.53 96.77 3.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -170.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -134.13 -15.37 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 123.769 0.828 . . . . 0.0 112.217 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -59.74 -58.11 9.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.31 59.31 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.53 0.25 20.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.497 1.044 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.3 t -124.42 -17.16 6.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.496 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -26.6 12.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.743 1.611 . . . . 0.0 113.228 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.03 -18.95 61.92 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.039 -1.038 . . . . 0.0 110.778 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 tpt -91.61 -8.79 46.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.636 1.574 . . . . 0.0 110.772 172.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.92 -73.76 0.52 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 122.541 1.162 . . . . 0.0 109.884 -156.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.97 -37.2 78.92 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.81 2.444 . . . . 0.0 109.266 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -0.21 57.34 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 119.893 -1.754 . . . . 0.0 112.159 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -69.79 -57.04 5.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.367 -1.458 . . . . 0.0 108.846 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.7 13.32 0.34 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.524 1.13 . . . . 0.0 111.463 -173.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.25 15.4 p 53.58 42.91 31.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 0.0 110.492 -166.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -34.29 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -163.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.507 0.723 . . . . 0.0 111.581 178.217 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.528 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -105.95 20.06 19.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.93 2.092 . . . . 0.0 109.274 174.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p 47.64 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.077 1.751 . . . . 0.0 112.853 -168.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.75 130.33 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 128.938 2.895 . . . . 0.0 107.479 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -137.72 0.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.613 1.565 . . . . 0.0 109.824 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.313 4.6 mmmm 78.1 -60.14 0.42 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -88.76 84.97 6.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.662 0.785 . . . . 0.0 112.953 163.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -71.49 0.75 Allowed 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.109 0.563 . . . . 0.0 109.619 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -95.42 36.01 1.28 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.33 -1.481 . . . . 0.0 110.43 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.25 -38.43 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 120.75 -1.219 . . . . 0.0 109.976 -174.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 m -47.07 -70.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 126.526 1.93 . . . . 0.0 109.173 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 19' ' ' LEU . 15.6 tp -57.15 -33.25 67.21 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.947 0.899 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -56.76 -26.24 57.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.974 1.709 . . . . 0.0 111.919 -178.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -110.07 3.69 20.55 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 130.817 3.647 . . . . 0.0 111.059 -174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 14' ' ' VAL . 81.2 t -105.76 -86.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.944 1.298 . . . . 0.0 109.816 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.908 HD11 HG13 ' A' ' 55' ' ' VAL . 4.1 mt -83.41 -61.6 1.8 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -173.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -62.78 -4.21 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -47.54 -26.91 1.57 Allowed 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 126.916 2.086 . . . . 0.0 114.897 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.29 -28.94 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.869 1.667 . . . . 0.0 108.786 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.419 1.488 . . . . 0.0 112.694 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.91 HG13 HE21 ' A' ' 65' ' ' GLN . 40.4 t -100.73 126.54 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 175.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -55.81 -30.16 60.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.084 1.354 . . . . 0.0 112.233 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t 91.82 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.817 2.447 . . . . 0.0 110.078 166.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -130.98 170.11 14.91 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.785 0.834 . . . . 0.0 110.547 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m 44.4 -167.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.77 1.628 . . . . 0.0 112.729 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -108.14 -6.26 16.53 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.622 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -47.77 -60.97 2.19 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 121.005 1.73 . . . . 0.0 108.848 172.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.868 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -70.5 -40.12 73.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 120.448 -1.407 . . . . 0.0 110.857 -177.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 29' ' ' LYS . . . -58.64 -24.14 60.54 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.243 -178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -58.27 -31.6 67.6 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.829 2.052 . . . . 0.0 111.174 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 m -85.53 -35.47 21.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 118.82 -0.609 . . . . 0.0 111.386 168.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 119.405 1.002 . . . . 0.0 111.609 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.4 pt20 -53.62 -44.98 69.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.342 1.057 . . . . 0.0 109.685 173.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -73.1 -38.37 66.39 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 117.412 -1.28 . . . . 0.0 108.543 -176.386 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -53.1 -37.67 61.92 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 121.195 1.816 . . . . 0.0 111.267 177.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.9 -31.64 71.96 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.045 0.938 . . . . 0.0 110.861 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.566 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 3.2 m-20 -87.53 -36.98 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.58 1.152 . . . . 0.0 110.389 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.2 mp -52.45 -30.03 13.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 CA-C-N 120.268 1.395 . . . . 0.0 111.063 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -28.69 15.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 121.081 1.764 . . . . 0.0 113.922 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' SD ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -107.19 49.54 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.506 0.504 . . . . 0.0 111.743 171.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.79 -45.0 10.71 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.518 -0.739 . . . . 0.0 110.888 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -147.14 -62.57 0.28 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.04 153.32 42.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 127.4 2.28 . . . . 0.0 106.475 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 m -61.01 -23.69 65.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.706 2.503 . . . . 0.0 112.213 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.8 m -67.74 -86.55 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 167.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.31 -35.18 1.4 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.328 2.251 . . . . 0.0 115.187 -173.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.4 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.472 1.509 . . . . 0.0 112.188 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -36.53 32.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.545 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 1.7 mt-10 -48.54 -58.22 5.01 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -72.94 -23.33 60.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.265 0.626 . . . . 0.0 112.397 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.558 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.53 -23.3 67.23 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.47 -1.394 . . . . 0.0 111.272 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 HD11 ' A' ' 19' ' ' LEU . 54.6 t -83.49 -35.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.078 0 CA-C-O 116.987 -1.482 . . . . 0.0 108.14 171.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -55.7 -52.51 63.64 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.573 1.533 . . . . 0.0 112.299 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -43.3 -49.64 6.75 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.255 0.622 . . . . 0.0 110.107 174.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -70.68 -39.1 73.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.439 -178.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -26.81 54.74 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.136 2.174 . . . . 0.0 112.111 174.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -107.43 -2.59 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.806 1.242 . . . . 0.0 110.84 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.868 HD11 ' HA ' ' A' ' 31' ' ' TRP . 2.9 tm? -104.86 -31.27 9.36 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 120.16 -1.587 . . . . 0.0 110.03 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 70' ' ' ILE . 1.6 pt? -61.42 -20.26 62.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.7 m -49.74 -70.83 0.08 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 129.795 3.238 . . . . 0.0 112.12 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.422 ' HG3' HD21 ' A' ' 30' ' ' LEU . 12.4 ptm -66.03 -30.05 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.008 0.523 . . . . 0.0 111.158 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.91 HE21 HG13 ' A' ' 24' ' ' VAL . 7.9 mm100 -60.53 -27.78 67.9 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.676 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.34 54.34 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.68 1.133 . . . . 0.0 112.033 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . . . -139.63 105.08 5.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 123.661 1.696 . . . . 0.0 111.166 171.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.345 7.6 p -82.46 -11.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.882 -1.136 . . . . 0.0 111.152 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' C ' HD21 ' A' ' 73' ' ' LEU . 1.4 m-20 -137.08 82.03 1.91 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.333 1.853 . . . . 0.0 106.56 -168.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 62' ' ' LEU . 7.0 tp -160.19 17.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 123.509 0.723 . . . . 0.0 111.21 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -88.79 -62.29 1.52 Allowed 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -45.86 15.9 Favored 'General case' 0 C--O 1.219 -0.531 0 O-C-N 121.762 -0.586 . . . . 0.0 111.469 -168.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -70.03 -2.86 13.93 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.904 -1.747 . . . . 0.0 112.549 173.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.93 -26.09 9.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 117.028 -1.463 . . . . 0.0 110.628 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -34.55 20.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 120.19 1.359 . . . . 0.0 108.797 175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.74 -7.86 48.02 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.311 1.844 . . . . 0.0 113.891 -176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 mtt -121.13 1.82 10.34 Favored 'General case' 0 N--CA 1.469 0.495 1 C-N-CA 134.244 5.018 . . . . 0.0 113.344 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -132.72 -73.87 0.5 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.97 -53.22 60.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 128.129 2.572 . . . . 0.0 108.391 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -76.24 -8.78 57.81 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 119.011 -2.306 . . . . 0.0 113.771 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -64.59 -60.08 3.54 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 120.081 1.309 . . . . 0.0 108.25 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.25 11.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.309 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.303 1.8 p 62.53 20.21 11.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.065 1.346 . . . . 0.0 112.842 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 84' ' ' LEU . 10.1 tp -156.89 -61.5 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.105 0.562 . . . . 0.0 110.067 -163.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 11.0 tm0? . . . . . 0 C--O 1.256 1.412 0 C-N-CA 128.045 2.538 . . . . 0.0 111.05 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.98 123.32 26.66 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.618 0.767 . . . . 0.0 109.285 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -68.96 -45.38 70.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.249 0.62 . . . . 0.0 110.874 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -152.57 171.26 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 120.887 -1.133 . . . . 0.0 111.396 168.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.2 65.65 1.45 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.451 1.9 . . . . 0.0 110.392 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -92.2 104.03 16.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.598 1.959 . . . . 0.0 109.489 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.373 3.2 p30 44.93 104.22 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 130.217 3.407 . . . . 0.0 114.244 -178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -147.07 24.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 130.147 3.379 . . . . 0.0 106.042 -163.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 72.46 -57.97 0.61 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 131.202 3.801 . . . . 0.0 111.106 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 m -119.96 45.27 2.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.698 1.599 . . . . 0.0 112.24 -161.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.4 m -47.32 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.342 1.857 . . . . 0.0 112.238 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.79 37.38 2.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.103 0.961 . . . . 0.0 110.563 -162.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -122.36 -49.94 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.255 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.275 34.8 m -49.27 -51.99 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.052 1.341 . . . . 0.0 113.378 -168.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.35 -27.9 59.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.058 -1.026 . . . . 0.0 111.799 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.23 -33.67 76.28 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 t -77.28 -2.8 36.63 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.77 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -121.14 -62.54 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.549 1.522 . . . . 0.0 110.785 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -76.0 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.881 -1.137 . . . . 0.0 111.426 -167.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.76 -11.67 1.05 Allowed 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -35.18 31.94 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.019 173.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -35.02 0.49 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.81 -1.091 . . . . 0.0 113.652 171.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -65.27 -73.54 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.138 1.336 . . . . 0.0 110.234 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 31' ' ' TRP . 1.9 p -92.23 125.05 44.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 126.71 2.004 . . . . 0.0 106.131 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.8 -76.17 0.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -165.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -171.94 154.31 3.47 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.281 1.432 . . . . 0.0 107.15 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.9 m 35.67 86.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.404 2.282 . . . . 0.0 114.175 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -132.34 110.11 10.34 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 163.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -51.86 -32.57 32.61 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.451 1.023 . . . . 0.0 110.871 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HG3' ' A' ' 64' ' ' MET . 5.0 tt -50.5 -63.39 1.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.439 1.496 . . . . 0.0 109.754 170.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.462 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -64.17 -39.53 94.19 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.567 -1.333 . . . . 0.0 111.564 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -60.0 -27.7 67.1 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -18.75 35.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.669 1.588 . . . . 0.0 112.802 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -110.74 -28.99 8.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.142 1.377 . . . . 0.0 111.877 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -64.42 -25.62 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 119.452 1.024 . . . . 0.0 111.16 177.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.196 0.907 . . . . 0.0 109.149 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.26 73.48 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.065 -1.022 . . . . 0.0 110.648 -170.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -32.47 38.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.025 -0.988 . . . . 0.0 112.729 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -66.74 -35.79 80.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.447 1.021 . . . . 0.0 110.23 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.53 -41.52 24.03 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.303 1.441 . . . . 0.0 108.172 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.7 mm -49.29 -24.29 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.427 2.291 . . . . 0.0 113.401 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -31.54 67.58 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 122.866 2.575 . . . . 0.0 113.41 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 43' ' ' LEU . 57.6 mt -107.54 54.73 0.66 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.15 0.98 . . . . 0.0 108.631 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 -40.83 12.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.453 0.471 . . . . 0.0 111.432 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -153.32 -74.23 0.13 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -163.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -151.1 161.17 43.23 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -55.04 -30.19 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.088 1.355 . . . . 0.0 112.651 -168.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -68.1 -77.46 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.801 0.84 . . . . 0.0 108.875 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.3 -24.14 67.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 112.607 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -59.47 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.396 1.878 . . . . 0.0 111.526 165.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.53 53.33 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.011 0.524 . . . . 0.0 110.91 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.24 -54.09 35.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.469 1.108 . . . . 0.0 110.413 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -21.89 63.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 122.073 -0.392 . . . . 0.0 110.039 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -29.73 70.87 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.784 -1.198 . . . . 0.0 109.23 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.73 -33.07 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.887 1.675 . . . . 0.0 108.984 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.6 t -52.72 -67.57 0.24 Allowed 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.777 1.231 . . . . 0.0 111.323 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -35.46 -61.56 0.44 Allowed 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.941 1.697 . . . . 0.0 112.114 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.21 -29.96 70.13 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -72.18 -35.1 68.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.585 0.629 . . . . 0.0 110.862 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -48.03 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.228 1.011 . . . . 0.0 109.387 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.21 -27.63 65.91 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 127.497 2.319 . . . . 0.0 112.437 -177.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.95 -21.88 66.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.985 -1.072 . . . . 0.0 109.777 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 m -57.23 -65.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.244 1.017 . . . . 0.0 110.57 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.522 ' HG3' HD21 ' A' ' 30' ' ' LEU . 18.0 ptp -58.41 -31.6 67.86 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.433 1.015 . . . . 0.0 110.855 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.52 -23.58 67.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.296 0.638 . . . . 0.0 111.493 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.17 14.48 0.09 OUTLIER Glycine 0 CA--C 1.532 1.122 0 CA-C-O 117.819 -1.545 . . . . 0.0 114.966 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.75 148.22 41.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.967 2.384 . . . . 0.0 112.273 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -120.15 -44.08 2.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 125.639 1.576 . . . . 0.0 108.506 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.51 90.44 3.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 70' ' ' ILE . 5.6 tp -140.12 10.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 O-C-N 121.606 -0.684 . . . . 0.0 111.31 156.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -81.35 -80.33 0.15 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.235 -1.386 . . . . 0.0 109.004 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.37 -61.78 2.11 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -163.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.7 pt? -54.56 0.7 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.544 2.338 . . . . 0.0 115.586 169.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.5 -27.34 6.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 116.582 -1.675 . . . . 0.0 108.353 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.24 -21.6 0.29 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 127.318 2.247 . . . . 0.0 113.588 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.48 -6.89 1.78 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 169.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -120.37 -2.43 10.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.238 1.415 . . . . 0.0 110.499 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.24 -68.28 0.93 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.982 1.713 . . . . 0.0 107.125 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.67 -35.89 79.69 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 120.614 -1.304 . . . . 0.0 110.857 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -90.69 6.65 43.13 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.757 -1.839 . . . . 0.0 111.382 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -74.58 -54.51 7.33 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.265 -1.522 . . . . 0.0 109.587 156.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.1 -4.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -154.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.273 15.0 p 52.16 27.01 4.26 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.393 1.877 . . . . 0.0 111.935 -166.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.55 -39.11 0.08 Allowed 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.253 -161.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.244 0.802 0 C-N-CA 127.007 2.123 . . . . 0.0 112.4 -148.182 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.727 0 CA-C-O 118.751 -1.027 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 -19.59 1.14 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.67 1.188 . . . . 0.0 112.348 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.89 162.64 41.04 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.234 1.413 . . . . 0.0 108.307 165.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.2 -44.38 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.479 1.512 . . . . 0.0 109.366 171.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.91 134.42 34.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.101 1.76 . . . . 0.0 106.553 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -69.91 -167.16 0.14 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.548 0.613 . . . . 0.0 111.283 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -61.84 132.63 53.7 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 149.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.28 18.6 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 130.134 3.374 . . . . 0.0 105.156 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? 74.84 -48.12 0.64 Allowed 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 131.569 3.948 . . . . 0.0 110.459 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.6 p -90.4 63.66 5.69 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.999 -173.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 p -60.42 -82.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.928 0.785 . . . . 0.0 110.261 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 5.5 t -121.92 38.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.973 -1.079 . . . . 0.0 110.526 -172.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 16.3 m -117.6 -26.33 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.509 -163.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.256 1.2 m -74.16 -33.82 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.043 1.292 . . . . 0.0 110.352 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.77 -30.01 67.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -3.98 8.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.762 2.025 . . . . 0.0 112.092 168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -119.58 -1.6 10.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.831 2.052 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -112.83 -56.86 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 125.105 1.362 . . . . 0.0 110.758 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 -69.8 0.8 Allowed 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.355 -0.841 . . . . 0.0 109.147 -155.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -26.44 0.55 Allowed 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 125.504 1.522 . . . . 0.0 113.74 162.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.34 -32.91 5.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.14 1.776 . . . . 0.0 111.407 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -35.28 0.54 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.127 0.971 . . . . 0.0 113.574 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -85.94 -73.84 0.44 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -87.96 54.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.501 1.52 . . . . 0.0 108.581 173.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.6 60.56 1.67 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.156 -0.965 . . . . 0.0 110.649 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -152.94 138.06 17.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.372 -0.83 . . . . 0.0 109.639 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -77.12 127.1 32.05 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.992 0.917 . . . . 0.0 108.982 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 t -165.03 141.58 5.74 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.83 -32.98 69.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.331 0.968 . . . . 0.0 111.042 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.2 tt -44.76 -74.36 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.273 1.829 . . . . 0.0 109.931 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.02 73.1 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.083 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.25 -16.57 60.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.275 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -25.04 67.95 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.701 1.592 . . . . 0.0 111.922 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -101.11 -29.65 12.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 111.024 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -25.08 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 118.915 -1.114 . . . . 0.0 111.013 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -61.99 -58.82 6.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.737 1.608 . . . . 0.0 109.394 166.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -32.17 70.01 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.665 1.186 . . . . 0.0 111.397 -170.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -54.73 -30.67 56.81 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.91 -1.119 . . . . 0.0 112.477 176.131 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -14.88 61.43 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.581 1.552 . . . . 0.0 112.2 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -54.23 5.53 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 162.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mp -46.47 -33.4 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-O 115.158 -2.354 . . . . 0.0 113.557 -170.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.11 -39.01 2.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 122.994 2.634 . . . . 0.0 112.842 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -111.59 54.81 0.68 Allowed 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.7 5.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -140.44 -54.22 0.51 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.777 0.831 . . . . 0.0 111.058 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -149.42 157.86 43.67 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 129.028 2.931 . . . . 0.0 103.665 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.3 m -51.14 -43.42 61.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.999 1.32 . . . . 0.0 111.515 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 m -74.3 -65.17 0.88 Allowed 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.373 1.045 . . . . 0.0 108.999 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.9 -23.69 54.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.217 1.807 . . . . 0.0 114.139 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -68.09 -70.27 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.814 2.446 . . . . 0.0 110.112 166.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.62 -47.01 14.77 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.433 1.093 . . . . 0.0 110.892 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -49.89 -53.47 25.68 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.836 1.654 . . . . 0.0 109.745 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.25 -31.55 72.77 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.198 -0.939 . . . . 0.0 112.158 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.413 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -60.75 -35.15 75.67 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.617 1.567 . . . . 0.0 113.161 173.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -73.85 -32.72 35.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 123.946 0.898 . . . . 0.0 110.295 168.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -68.42 -46.76 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.31 -48.99 24.92 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 118.129 -0.938 . . . . 0.0 112.073 173.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.26 14.8 mt -64.5 -33.57 76.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.532 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -40.55 93.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.715 1.143 . . . . 0.0 113.658 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.7 -42.43 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.789 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -57.3 -27.94 62.62 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.906 1.682 . . . . 0.0 110.863 175.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -53.67 -14.12 0.82 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.273 174.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t -33.66 -55.07 0.45 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 128.929 2.892 . . . . 0.0 111.098 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -85.21 -52.28 6.03 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.075 0.95 . . . . 0.0 110.643 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 7.1 mm100 -53.34 -27.08 21.57 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.337 1.055 . . . . 0.0 112.793 -168.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.3 31.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 CA-C-O 117.92 -1.489 . . . . 0.0 115.734 -169.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.28 -139.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.114 1.957 . . . . 0.0 114.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.299 10.3 m 38.78 -62.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.648 1 C-N-CA 132.271 4.228 . . . . 0.0 112.986 -144.286 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.561 ' CA ' HD21 ' A' ' 73' ' ' LEU . 11.6 m-20 -73.3 53.86 0.4 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.329 2.252 . . . . 0.0 110.136 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tp -141.62 15.29 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 O-C-N 120.117 -1.614 . . . . 0.0 111.894 170.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.33 -71.73 0.73 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.587 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -56.27 6.62 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 119.553 1.07 . . . . 0.0 111.105 -171.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.682 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.2 pt? -61.78 1.56 0.25 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 172.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.8 t -112.52 -15.76 13.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 115.742 -2.075 . . . . 0.0 109.328 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.74 -21.92 43.81 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 122.159 2.254 . . . . 0.0 112.118 -167.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -55.74 -6.72 0.23 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 166.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttp -114.23 -17.39 11.87 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 121.137 1.79 . . . . 0.0 110.131 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.92 -73.42 0.65 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.459 1.903 . . . . 0.0 108.106 -171.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.47 -47.03 63.28 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 125.011 1.324 . . . . 0.0 110.245 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.68 -12.24 60.01 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 120.435 -1.416 . . . . 0.0 112.881 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -65.9 -50.46 64.38 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 118.415 0.552 . . . . 0.0 110.304 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.73 1.18 0.16 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.428 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.251 23.2 p 49.39 28.45 2.38 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.86 1.264 . . . . 0.0 112.594 -166.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.72 -41.99 0.14 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.095 1.358 . . . . 0.0 111.207 -168.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.024 1.73 . . . . 0.0 109.297 170.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.84 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -69.69 -98.58 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 140.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -26.03 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 130.65 3.58 . . . . 0.0 110.984 162.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -133.65 -18.51 2.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.51 1.524 . . . . 0.0 112.82 -171.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.31 36.78 0.59 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -71.88 -36.07 69.96 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 120.911 -1.118 . . . . 0.0 113.78 -157.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -153.79 110.27 3.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 167.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.37 17.05 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.379 2.672 . . . . 0.0 106.777 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt 61.83 92.69 0.05 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 129.346 3.058 . . . . 0.0 109.055 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m 102.93 -11.29 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 129.398 3.079 . . . . 0.0 114.037 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -37.43 -57.4 0.92 Allowed 'General case' 0 C--O 1.242 0.703 0 C-N-CA 126.056 1.742 . . . . 0.0 112.725 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -100.72 35.9 2.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.265 -0.897 . . . . 0.0 110.963 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.65 -31.82 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.225 1.41 . . . . 0.0 111.605 170.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.22 -43.06 75.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.531 0.681 . . . . 0.0 112.641 -171.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.52 -28.0 56.2 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 120.965 -1.085 . . . . 0.0 110.425 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.58 -10.23 50.11 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 126.038 1.735 . . . . 0.0 111.551 170.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -117.32 0.49 12.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.263 1.392 . . . . 0.0 112.712 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.06 -50.18 4.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 O-C-N 121.232 -0.917 . . . . 0.0 110.682 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.97 -69.78 0.67 Allowed 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.408 1.004 . . . . 0.0 109.873 -171.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -24.14 19.76 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -44.15 -45.36 8.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.396 1.878 . . . . 0.0 111.221 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -134.97 -38.06 0.79 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.032 1.333 . . . . 0.0 112.296 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -71.41 -76.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.021 1.282 . . . . 0.0 109.386 -174.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.3 51.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.853 0.835 . . . . 0.0 109.617 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 88.12 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 169.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 m -155.3 168.82 25.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.827 1.251 . . . . 0.0 108.971 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.2 m -76.23 -174.85 2.94 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.085 0.554 . . . . 0.0 109.642 162.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t 95.54 122.36 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 C-N-CA 129.738 3.215 . . . . 0.0 109.628 172.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.65 0.48 5.43 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 117.803 -1.094 . . . . 0.0 111.659 167.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.55 -55.42 25.76 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 120.858 1.663 . . . . 0.0 109.222 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.78 -45.65 82.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.048 0.539 . . . . 0.0 111.612 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.28 68.99 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -20.17 61.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.614 1.566 . . . . 0.0 112.579 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.67 -26.34 12.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.201 1.401 . . . . 0.0 111.54 172.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -41.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 117.003 -1.475 . . . . 0.0 110.133 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -50.04 -52.39 34.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.499 1.499 . . . . 0.0 110.566 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.4 -28.93 69.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 120.829 -1.169 . . . . 0.0 111.987 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -37.84 64.16 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.439 1.472 . . . . 0.0 111.121 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -14.16 60.83 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 118.266 0.484 . . . . 0.0 111.458 -174.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -82.58 -43.6 16.86 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.756 1.222 . . . . 0.0 109.189 167.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.5 mp -55.16 -20.96 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 116.216 -1.849 . . . . 0.0 113.185 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -18.38 11.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 123.411 2.823 . . . . 0.0 114.486 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.97 58.96 0.8 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.75 1.34 Allowed 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? 67.81 -68.88 0.15 Allowed 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.492 1.917 . . . . 0.0 111.221 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -112.38 -168.03 1.26 Allowed 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 126.948 2.099 . . . . 0.0 108.545 -167.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -94.59 -36.8 11.65 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 162.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.5 m -70.19 -72.49 0.2 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.015 -171.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.71 -25.47 66.44 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 118.507 0.594 . . . . 0.0 111.099 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.45 -76.43 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 127.877 2.471 . . . . 0.0 111.08 167.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.447 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -52.68 -38.85 61.24 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.269 -177.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 71.2 mt-10 -59.14 -46.05 89.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.962 1.705 . . . . 0.0 110.845 176.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.03 -36.35 70.35 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.561 1.073 . . . . 0.0 109.504 170.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.635 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -28.39 57.04 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 109.445 -172.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.679 HG23 HE21 ' A' ' 85' ' ' GLN . 2.4 m -83.93 -19.27 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 124.634 1.173 . . . . 0.0 110.734 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.4 t -73.16 -55.79 5.99 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 111.782 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -42.96 -53.03 4.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.941 1.296 . . . . 0.0 110.972 177.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.75 -22.85 66.04 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -53.64 50.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 120.288 1.404 . . . . 0.0 110.813 168.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.45 -38.7 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 122.019 -0.426 . . . . 0.0 110.418 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -61.42 -27.61 68.67 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.127 1.371 . . . . 0.0 111.003 174.221 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.37 -22.67 63.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.15 1.341 . . . . 0.0 111.378 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 t -56.84 -63.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.856 1.662 . . . . 0.0 110.695 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.2 ptp -61.75 -30.54 70.85 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.825 -0.547 . . . . 0.0 110.922 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -8.76 51.54 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.853 -1.07 . . . . 0.0 112.555 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.57 26.64 1.74 Allowed Glycine 0 CA--C 1.529 0.934 0 CA-C-N 120.267 1.394 . . . . 0.0 114.328 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.56 155.57 24.13 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 118.908 1.354 . . . . 0.0 109.719 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.04 -30.48 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 123.75 0.82 . . . . 0.0 110.18 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.87 -106.24 0.06 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . 0.298 7.3 tp 46.94 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.084 1 C-N-CA 132.331 4.252 . . . . 0.0 112.818 -171.324 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -119.64 -81.05 0.63 Allowed 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -61.89 -53.59 53.63 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 119.976 1.262 . . . . 0.0 112.842 -172.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.54 1.06 1.86 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.419 -2.05 . . . . 0.0 113.814 173.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.15 -21.45 11.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.217 1.807 . . . . 0.0 111.008 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -20.39 65.43 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 120.302 1.41 . . . . 0.0 109.777 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.42 -9.72 50.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 111.576 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 -11.92 8.58 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 126.446 1.899 . . . . 0.0 113.558 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 mt -98.73 -61.55 1.36 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -50.04 75.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.79 5.27 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.085 1.354 . . . . 0.0 114.328 173.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -72.41 -53.51 12.04 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 119.625 -1.922 . . . . 0.0 108.898 165.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.12 8.03 0.92 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.312 1.045 . . . . 0.0 113.253 -161.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.265 68.9 p 53.87 19.43 1.94 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.149 1.78 . . . . 0.0 113.468 -162.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.39 -71.69 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.619 1.168 . . . . 0.0 109.513 -172.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.679 HE21 HG23 ' A' ' 55' ' ' VAL . 15.7 tm0? . . . . . 0 C--O 1.244 0.805 0 C-N-CA 131.13 3.772 . . . . 0.0 114.292 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.53 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -77.36 138.03 39.08 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -54.24 101.75 0.05 OUTLIER 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.307 1.043 . . . . 0.0 111.361 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.64 174.18 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.47 1.508 . . . . 0.0 109.671 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.35 56.06 7.99 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.206 1.402 . . . . 0.0 110.172 174.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -54.32 -72.01 0.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.462 1.505 . . . . 0.0 110.022 174.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.16 133.26 27.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.94 0.896 . . . . 0.0 109.046 171.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.84 15.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 127.866 2.466 . . . . 0.0 107.428 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt 71.74 -70.93 0.14 Allowed 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 128.526 2.73 . . . . 0.0 108.423 -176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -76.67 4.71 8.89 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -167.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 p -41.41 -55.67 2.72 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 127.148 2.179 . . . . 0.0 112.022 -172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -118.82 39.03 3.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.173 0.989 . . . . 0.0 111.421 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 m -112.31 -39.08 3.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.925 162.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.268 3.3 m -47.75 -59.41 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.215 1.37 . . . . 0.0 112.562 -173.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 tp -68.51 -33.24 73.78 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.251 -0.906 . . . . 0.0 112.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.94 -16.25 63.98 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.828 -0.606 . . . . 0.0 112.286 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -102.52 1.72 35.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.374 1.87 . . . . 0.0 112.124 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -110.6 -78.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.728 1.211 . . . . 0.0 109.093 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -63.85 1.07 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 119.597 1.089 . . . . 0.0 109.605 -165.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -12.72 15.23 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -174.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.99 -40.53 6.54 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 125.595 1.558 . . . . 0.0 108.114 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -139.19 -37.58 0.51 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.904 1.682 . . . . 0.0 113.664 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -27.93 39.61 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -159.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.12 134.49 36.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 104.092 -2.559 . . . . 0.0 104.092 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.77 -151.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 120.382 1.447 . . . . 0.0 109.722 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -32.06 70.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.003 -1.061 . . . . 0.0 111.585 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 m 47.08 -161.37 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.999 2.12 . . . . 0.0 113.175 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -79.62 161.39 25.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 164.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -60.44 -18.09 48.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.795 -0.622 . . . . 0.0 112.61 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -40.26 -51.2 2.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.052 1.741 . . . . 0.0 112.655 166.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.521 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.67 -46.23 90.63 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.596 1.188 . . . . 0.0 109.602 -179.413 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.49 -21.42 65.48 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.497 1.119 . . . . 0.0 112.666 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.37 61.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.295 0.952 . . . . 0.0 112.05 174.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -106.46 -28.67 10.18 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.937 0.895 . . . . 0.0 110.964 170.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -20.74 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 121.326 -0.859 . . . . 0.0 111.535 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -14.0 60.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.367 1.867 . . . . 0.0 114.619 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -120.83 -23.0 6.05 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 128.191 2.596 . . . . 0.0 108.473 -165.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -49.38 -31.04 8.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 119.011 -2.306 . . . . 0.0 112.378 171.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -60.46 -34.49 74.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.095 1.758 . . . . 0.0 111.536 177.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -39.9 94.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.049 1.34 . . . . 0.0 109.082 168.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -73.85 -20.67 17.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 O-C-N 119.122 -2.236 . . . . 0.0 111.156 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD21 ' SD ' ' A' ' 54' ' ' MET . 8.3 mt -61.45 -22.44 65.05 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 119.873 -1.767 . . . . 0.0 114.136 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -120.77 48.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 171.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 -39.11 48.33 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.11 -177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -156.35 -72.35 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.2 156.36 48.8 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 128.847 2.859 . . . . 0.0 106.147 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.9 m -50.3 -34.4 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.808 1.243 . . . . 0.0 112.387 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 m -67.9 -78.55 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.637 1.575 . . . . 0.0 109.877 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -57.33 -25.36 59.23 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.6 1.16 . . . . 0.0 111.661 -171.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.646 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -36.17 52.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.551 0.34 . . . . 0.0 110.956 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.41 -54.66 42.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.522 0.729 . . . . 0.0 110.816 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -61.09 -32.25 71.91 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.505 ' SD ' HD21 ' A' ' 42' ' ' LEU . 2.0 ttt -53.42 -36.96 62.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.467 1.507 . . . . 0.0 113.849 168.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.01 -23.41 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.11 0.964 . . . . 0.0 109.4 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 p -63.37 -61.22 2.49 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.069 0.947 . . . . 0.0 112.021 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -57.02 2.77 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 126.759 2.024 . . . . 0.0 110.876 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -68.18 -23.91 64.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 m -69.11 -42.73 75.7 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.766 0.712 . . . . 0.0 111.593 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.11 -34.02 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 122.074 -0.391 . . . . 0.0 111.325 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.54 -30.33 70.58 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 119.657 -1.902 . . . . 0.0 110.375 172.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -26.83 63.69 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.67 -0.644 . . . . 0.0 110.674 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 t -51.67 -59.51 4.2 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.091 1.356 . . . . 0.0 109.515 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.48 -31.17 66.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.766 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -58.46 -28.07 64.98 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.168 0.587 . . . . 0.0 110.193 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.71 0.2 0.14 Allowed Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.473 1.511 . . . . 0.0 113.919 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.15 87.09 4.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 119.29 1.545 . . . . 0.0 110.72 -161.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.7 m -46.36 -45.14 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.73 1.612 . . . . 0.0 112.629 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.7 m-20 -133.01 118.75 19.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 167.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 tp -150.31 12.73 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.856 0.863 . . . . 0.0 112.863 160.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.42 HD22 ' C ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -90.02 -60.75 1.85 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 119.858 1.208 . . . . 0.0 108.084 164.395 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -54.98 -71.05 0.09 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.917 -170.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 69' ' ' ASP . 1.1 pt? -61.6 -1.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 120.216 -1.552 . . . . 0.0 115.008 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.96 -13.29 17.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.926 -1.988 . . . . 0.0 109.366 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -32.1 6.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.758 2.023 . . . . 0.0 111.767 -169.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.12 -4.54 0.52 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 128.634 2.774 . . . . 0.0 114.595 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.52 -5.96 9.77 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.266 1.826 . . . . 0.0 111.468 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.12 -65.81 0.96 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.127 1.371 . . . . 0.0 109.592 -177.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.54 -36.35 75.97 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.872 1.269 . . . . 0.0 109.471 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.97 -16.33 57.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.161 -0.962 . . . . 0.0 113.173 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -70.9 -39.81 72.56 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 122.82 0.448 . . . . 0.0 111.888 -167.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.82 6.12 0.06 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 125.986 2.054 . . . . 0.0 110.854 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.274 18.1 p 59.75 18.72 7.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.826 1.193 . . . . 0.0 113.142 -168.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.41 -24.24 0.73 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.081 1.352 . . . . 0.0 113.51 -168.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.88 -1.533 . . . . 0.0 109.701 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.601 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.03 46.55 2.61 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.194 1.398 . . . . 0.0 111.078 -166.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -63.45 -76.54 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 167.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.47 -70.2 0.25 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.106 -0.996 . . . . 0.0 110.409 169.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ttp -63.38 -22.6 66.98 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.329 -164.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p 64.5 -4.54 0.42 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.775 2.83 . . . . 0.0 116.269 169.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 t0 95.71 133.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 1 C-N-CA 132.094 4.158 . . . . 0.0 108.56 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 t -145.88 24.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 128.29 2.636 . . . . 0.0 107.707 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt 65.97 166.29 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.921 2.489 . . . . 0.0 108.626 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.2 m 56.68 6.23 0.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -60.58 -33.42 72.68 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.481 1.491 . . . . 0.0 111.002 -163.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -128.04 39.6 3.82 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.757 1.623 . . . . 0.0 109.453 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.19 -51.25 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 153.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.283 1.4 m -57.23 -54.3 32.28 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 CA-C-N 118.162 0.437 . . . . 0.0 110.847 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' CG ' ' A' ' 38' ' ' HIS . 14.7 tp -71.18 -22.05 62.08 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.7 -1.25 . . . . 0.0 111.793 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 7.0 mp -74.41 -11.81 60.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.24 1.416 . . . . 0.0 113.559 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -110.55 -29.94 7.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.869 1.668 . . . . 0.0 110.173 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.96 -27.79 2.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.342 -0.848 . . . . 0.0 113.185 -161.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 19' ' ' LEU . 2.4 tm? -114.39 -63.28 1.48 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -54.06 -27.81 34.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.535 -1.222 . . . . 0.0 111.736 -174.624 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -23.38 -54.77 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 130.319 3.448 . . . . 0.0 114.44 -162.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.629 HD22 ' C ' ' A' ' 22' ' ' LEU 0.291 0.0 OUTLIER -132.03 -23.37 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.589 1.555 . . . . 0.0 112.042 176.349 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -61.08 -46.65 89.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 118.477 0.58 . . . . 0.0 111.129 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG11 ' CG ' ' A' ' 31' ' ' TRP . 46.0 t -102.43 122.89 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.07 138.83 52.38 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 121.848 -0.533 . . . . 0.0 109.765 165.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.01 167.88 14.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.938 1.295 . . . . 0.0 110.515 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m 56.88 63.68 1.86 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 109.659 -160.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 p -141.61 153.09 44.56 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -120.22 -24.91 5.82 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.661 1.184 . . . . 0.0 111.69 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 64' ' ' MET . 48.3 tp -59.44 -48.77 80.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.657 1.117 . . . . 0.0 109.23 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CG ' HG11 ' A' ' 24' ' ' VAL . 1.8 t90 -57.15 -50.38 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.745 0.818 . . . . 0.0 111.567 171.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.3 78.53 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.317 1.447 . . . . 0.0 111.353 -174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -59.65 -6.89 1.29 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.669 1.587 . . . . 0.0 113.511 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.03 -18.98 9.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.086 1.354 . . . . 0.0 112.607 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.52 -34.81 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.498 167.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -53.07 -49.19 66.87 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.612 1.096 . . . . 0.0 110.56 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -40.07 92.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.139 0.976 . . . . 0.0 110.82 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.78 -34.49 62.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.462 1.028 . . . . 0.0 111.787 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -23.27 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.2 1.0 . . . . 0.0 111.973 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -54.89 7.29 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 118.813 0.733 . . . . 0.0 110.418 165.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.484 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 30.7 mm -54.86 -17.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 116.638 -1.649 . . . . 0.0 112.251 -168.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -37.14 32.76 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 121.39 1.905 . . . . 0.0 112.773 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.34 64.47 0.63 Allowed 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 171.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.15 -59.62 2.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -132.94 -71.08 0.53 Allowed 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.611 0.764 . . . . 0.0 110.092 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -136.43 157.08 47.65 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.124 2.57 . . . . 0.0 104.732 172.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 m -51.43 -26.99 9.01 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 117.319 -1.324 . . . . 0.0 113.454 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.0 m -72.28 -72.75 0.22 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.536 1.516 . . . . 0.0 109.403 171.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.21 -32.94 25.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.914 1.686 . . . . 0.0 113.03 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.17 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 128.673 2.789 . . . . 0.0 111.246 171.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -33.83 31.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.237 0.615 . . . . 0.0 111.199 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.12 -60.84 2.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.025 0.93 . . . . 0.0 109.965 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -59.66 -30.94 69.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 110.863 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.601 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.04 -24.77 67.57 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.814 1.246 . . . . 0.0 110.909 -175.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.26 -37.05 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.978 1.311 . . . . 0.0 108.275 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -48.63 80.9 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.492 1.117 . . . . 0.0 111.787 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.601 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -45.37 -54.65 6.97 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.448 1.099 . . . . 0.0 111.115 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.12 -32.36 73.73 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 116.475 -1.726 . . . . 0.0 111.822 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -34.22 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 121.129 1.786 . . . . 0.0 113.205 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -79.16 -41.04 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 109.622 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -61.98 -27.49 68.9 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.031 1.333 . . . . 0.0 110.481 175.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -26.92 62.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.841 0.857 . . . . 0.0 110.005 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -62.56 -55.74 24.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 117.883 -1.056 . . . . 0.0 111.196 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 30' ' ' LEU . 7.8 ptp -65.77 -28.55 69.11 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.839 0.745 . . . . 0.0 112.066 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' OE1' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -62.29 -36.82 83.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 175.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.63 50.95 0.04 OUTLIER Glycine 0 CA--C 1.528 0.852 0 C-N-CA 125.289 1.423 . . . . 0.0 113.931 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.17 90.01 2.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.534 1.167 . . . . 0.0 112.99 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.84 -37.25 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.554 1.142 . . . . 0.0 112.181 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -142.75 120.92 12.2 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.69 36.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 C-N-CA 126.853 2.061 . . . . 0.0 106.708 160.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.72 -68.19 0.94 Allowed 'General case' 0 C--O 1.223 -0.338 0 O-C-N 120.776 -1.202 . . . . 0.0 108.772 170.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -60.55 3.62 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.146 1.339 . . . . 0.0 112.876 -173.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -0.37 2.58 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.505 -1.372 . . . . 0.0 114.331 172.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.29 -12.03 18.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 116.148 -1.882 . . . . 0.0 111.282 173.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -25.89 6.81 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.557 1.981 . . . . 0.0 112.739 -168.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 45.9 mt-10 -57.81 -16.28 11.01 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.604 1.162 . . . . 0.0 113.973 173.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.75 16.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.512 1.505 . . . . 0.0 110.752 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -68.59 0.86 Allowed 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.306 1.443 . . . . 0.0 109.705 -172.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.07 -63.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 66.5 t30 -72.64 3.88 4.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.239 1.415 . . . . 0.0 112.868 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 32.5 tpt85 -62.15 -51.16 68.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.815 -1.178 . . . . 0.0 109.717 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.76 5.1 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.338 1.649 . . . . 0.0 112.027 -163.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.3 p 58.42 17.7 5.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.482 1.913 . . . . 0.0 113.079 -165.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.28 -24.39 0.87 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -161.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.518 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -64.26 177.18 0.88 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.192 1.397 . . . . 0.0 109.893 165.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -143.09 80.69 1.69 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.931 0.787 . . . . 0.0 110.354 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -66.81 172.37 4.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.53 0.332 . . . . 0.0 110.152 173.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 3.7 ttm 65.81 -47.27 0.4 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.883 2.073 . . . . 0.0 111.928 -175.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.252 54.4 p 56.93 -159.32 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.584 1.954 . . . . 0.0 111.17 -171.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.08 110.61 16.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 126.494 1.918 . . . . 0.0 110.435 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.2 17.41 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 127.451 2.3 . . . . 0.0 109.684 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt 74.95 -71.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.613 2.365 . . . . 0.0 110.437 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.91 1.15 18.43 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -30.49 -78.26 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.97 2.908 . . . . 0.0 113.446 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -100.19 38.72 1.44 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.894 -1.128 . . . . 0.0 110.295 178.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -33.13 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.18 0.992 . . . . 0.0 110.166 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.13 -50.51 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 119.108 0.867 . . . . 0.0 111.426 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 15' ' ' LEU . 6.2 tt -60.42 -41.55 94.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 109.814 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -64.21 -14.97 58.86 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -104.82 1.1 28.76 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.511 1.524 . . . . 0.0 112.908 172.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -109.44 -68.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 126.626 1.97 . . . . 0.0 110.113 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD12 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.83 -66.56 0.91 Allowed 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -157.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -27.41 6.71 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.58 172.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -37.77 -47.52 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 126.326 1.851 . . . . 0.0 110.948 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.38 -44.49 1.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.77 0.428 . . . . 0.0 111.657 166.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 -58.01 -35.99 72.05 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -167.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -137.62 57.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 120.94 15.86 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -160.27 -174.13 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 126.43 1.892 . . . . 0.0 108.136 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 p -86.77 165.94 15.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.449 0.7 . . . . 0.0 109.685 154.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -76.57 90.84 3.34 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.153 -0.967 . . . . 0.0 111.668 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -120.51 -101.35 0.42 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.952 0.501 . . . . 0.0 110.8 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -46.82 56.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.577 1.551 . . . . 0.0 110.118 -174.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -61.08 -30.49 70.38 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.51 -0.744 . . . . 0.0 111.29 -177.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . . . -57.92 -29.44 65.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.76 1.224 . . . . 0.0 109.968 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -60.53 -20.85 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.464 1.484 . . . . 0.0 111.967 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -106.72 -22.79 12.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.369 -0.832 . . . . 0.0 111.315 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -59.65 -43.01 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-O 117.922 -1.037 . . . . 0.0 108.59 168.22 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.14 -23.8 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.911 1.687 . . . . 0.0 114.787 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.68 -28.36 19.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.097 1.759 . . . . 0.0 110.605 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 1.7 p-80 -55.85 -40.01 72.26 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.185 1.357 . . . . 0.0 110.386 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -8.18 43.2 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -46.88 11.23 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 119.72 1.146 . . . . 0.0 110.222 161.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mm -56.69 -22.82 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.767 1.627 . . . . 0.0 111.619 -169.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.04 -35.27 64.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.845 1.657 . . . . 0.0 111.633 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 1.1 mm? -107.65 50.24 0.78 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 120.3 1.409 . . . . 0.0 109.438 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.3 -40.29 37.26 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.906 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -159.36 -65.73 0.08 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.908 0.776 . . . . 0.0 110.78 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.6 163.13 32.85 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 129.689 3.196 . . . . 0.0 104.603 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -59.22 -33.66 71.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.436 1.471 . . . . 0.0 111.051 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -65.93 -76.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.831 2.452 . . . . 0.0 111.142 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.07 -23.13 44.53 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.381 1.072 . . . . 0.0 112.937 -171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.24 -85.0 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.647 1.979 . . . . 0.0 110.787 168.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.1 19.4 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.528 0.731 . . . . 0.0 111.971 -176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -54.78 -49.73 70.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.123 0.969 . . . . 0.0 111.152 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -67.9 -26.61 66.08 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 117.458 -1.258 . . . . 0.0 111.002 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.74 83.49 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.859 1.663 . . . . 0.0 111.201 173.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 -38.04 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 118.156 -0.926 . . . . 0.0 108.554 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -81.34 -21.27 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -168.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.6 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.077 -1.639 . . . . 0.0 109.672 158.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 31' ' ' TRP . 1.1 mp -72.42 -25.6 61.54 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.995 -166.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 p -60.43 -52.52 64.89 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.55 1.068 . . . . 0.0 111.752 169.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.76 -29.8 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -68.19 -27.49 66.44 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -21.38 60.1 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.228 -175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 p -57.42 -65.74 0.58 Allowed 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.83 1.195 . . . . 0.0 110.218 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 ptp -65.44 -23.93 67.05 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.676 1.59 . . . . 0.0 111.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.22 75.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.347 1.927 . . . . 0.0 113.474 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.97 80.73 1.99 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 119.324 1.562 . . . . 0.0 110.224 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.45 -24.19 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 130.394 3.478 . . . . 0.0 116.617 -165.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.74 3.24 2.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.315 1.046 . . . . 0.0 111.432 -170.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.48 -21.66 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 O-C-N 120.229 -1.544 . . . . 0.0 111.459 -162.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -45.3 -54.7 6.78 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 118.256 0.48 . . . . 0.0 111.451 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.54 -47.88 37.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.355 0.662 . . . . 0.0 111.276 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -66.37 -8.39 25.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.606 1.162 . . . . 0.0 112.913 -173.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.97 -32.43 8.75 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-O 115.423 -2.227 . . . . 0.0 108.005 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -32.85 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 122.877 2.581 . . . . 0.0 109.982 176.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.31 1.01 38.98 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.665 -1.272 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.25 -0.1 10.52 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 129.811 3.245 . . . . 0.0 109.859 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mt -128.68 -77.66 0.56 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.18 -40.16 95.1 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.209 -0.932 . . . . 0.0 108.868 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.27 -9.35 59.16 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -57.69 -52.53 65.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.822 1.249 . . . . 0.0 108.523 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.65 15.29 0.37 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 118.27 -0.872 . . . . 0.0 112.458 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.255 8.3 p 51.23 53.71 12.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.143 0.883 . . . . 0.0 110.762 -172.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 tp -162.39 -36.61 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.032 1.733 . . . . 0.0 112.945 165.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.564 0.746 . . . . 0.0 111.267 -177.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' HA3' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 N--CA 1.461 0.303 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -135.82 126.1 26.49 Favored 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 167.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m 36.67 23.65 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 129.214 3.006 . . . . 0.0 118.932 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 5' ' ' MET . 3.3 ptmm? -56.91 -27.71 61.11 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.337 1.881 . . . . 0.0 113.141 -172.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -130.8 79.04 1.88 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 100.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.202 1.801 . . . . 0.0 108.798 162.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.41 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 128.002 2.521 . . . . 0.0 112.716 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.87 22.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 126.16 1.784 . . . . 0.0 108.483 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt 71.82 -74.52 0.09 Allowed 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.426 2.69 . . . . 0.0 108.865 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 34.5 m -74.55 70.23 1.77 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.639 -0.663 . . . . 0.0 109.949 161.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 p -69.33 -79.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.448 1.099 . . . . 0.0 109.284 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.61 39.18 4.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.246 1.418 . . . . 0.0 109.837 -167.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 14.5 m -119.31 -48.85 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 110.178 -166.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 t -54.74 -62.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.092 0 C-N-CA 125.876 1.67 . . . . 0.0 110.012 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 58' ' ' LEU . 12.2 tp -65.16 -23.96 67.26 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.427 -0.796 . . . . 0.0 111.093 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.64 -11.33 60.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.623 1.969 . . . . 0.0 113.104 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.1 m -120.6 0.87 10.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.4 1.48 . . . . 0.0 112.861 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.68 -61.65 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 119.888 1.222 . . . . 0.0 111.407 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.61 -72.25 0.45 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.553 -1.276 . . . . 0.0 107.553 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -28.5 18.9 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -175.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -44.49 -41.19 6.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 127.714 2.405 . . . . 0.0 112.325 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.68 -10.24 5.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.654 1.182 . . . . 0.0 113.141 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.54 -46.99 7.04 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.0 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 31' ' ' TRP 0.267 79.6 t -98.77 -103.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 N-CA-C 106.546 -1.649 . . . . 0.0 106.546 -173.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.283 2.2 pt-20 70.33 152.22 0.1 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 130.018 3.327 . . . . 0.0 112.153 -164.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 t 143.06 -115.75 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 131.25 3.82 . . . . 0.0 105.755 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 p -149.39 45.27 0.96 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.956 0.902 . . . . 0.0 110.461 -158.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m 42.85 64.62 1.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.347 1.459 . . . . 0.0 111.701 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -80.37 -100.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.966 0.906 . . . . 0.0 108.829 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -108.3 -27.84 9.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 123.424 0.69 . . . . 0.0 109.767 -173.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.526 ' CG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.41 -36.28 9.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.172 0.989 . . . . 0.0 111.485 175.377 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.56 65.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.295 1.838 . . . . 0.0 112.227 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.11 -34.63 72.24 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.871 1.268 . . . . 0.0 111.14 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.1 -24.09 21.21 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.917 -0.489 . . . . 0.0 111.844 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -39.21 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 119.338 0.972 . . . . 0.0 110.249 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -68.13 -14.55 63.07 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.2 1.0 . . . . 0.0 112.666 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -35.6 20.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 O-C-N 121.461 -0.775 . . . . 0.0 110.969 168.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -56.45 -40.26 74.53 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.166 1.348 . . . . 0.0 111.483 -176.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -10.48 59.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.183 0.993 . . . . 0.0 113.09 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' OD2' ' HA3' ' A' ' 1' ' ' GLY . 7.1 m-20 -90.3 -54.89 3.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 170.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -48.37 -12.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 128.695 2.798 . . . . 0.0 115.686 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -51.47 -27.79 11.42 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 121.857 2.117 . . . . 0.0 115.331 173.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' LEU . 25.2 mt -115.7 33.42 5.49 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.181 1.355 . . . . 0.0 111.422 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -84.35 128.18 34.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? 63.7 -81.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.44 1.096 . . . . 0.0 111.869 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -156.85 157.49 35.02 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 128.569 2.748 . . . . 0.0 106.581 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 m -53.4 -29.5 35.25 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.12 0.873 . . . . 0.0 113.138 -171.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -69.4 -75.06 0.12 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -19.36 63.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -50.52 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.21 2.604 . . . . 0.0 112.525 163.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -38.11 72.67 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -174.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 96.4 mt-10 -58.55 -42.18 87.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.535 1.934 . . . . 0.0 110.537 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.49 75.34 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 119.89 -1.756 . . . . 0.0 109.555 169.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.589 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -73.78 -24.21 59.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.709 1.203 . . . . 0.0 109.588 -169.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -89.76 -20.72 6.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 125.357 1.463 . . . . 0.0 110.967 171.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -77.76 -47.2 19.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.852 1.261 . . . . 0.0 111.907 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.8 -54.78 9.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.868 1.213 . . . . 0.0 111.239 169.622 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 31' ' ' TRP . 2.3 mp -73.55 0.48 12.45 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -56.17 5.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.228 0.922 . . . . 0.0 111.332 157.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -48.29 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.71 1.204 . . . . 0.0 109.877 -166.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.66 -23.43 63.07 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.903 2.081 . . . . 0.0 112.418 -175.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 58' ' ' LEU . 1.5 mm? -60.85 -22.16 63.96 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.051 -1.03 . . . . 0.0 112.047 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 p -41.7 -67.11 0.28 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.695 1.998 . . . . 0.0 111.462 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.0 ptm -75.28 -25.36 57.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 127.152 2.181 . . . . 0.0 112.352 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' CD ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -63.72 -25.76 68.34 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.018 0.527 . . . . 0.0 110.286 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.62 22.02 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 CA-C-O 117.504 -1.72 . . . . 0.0 113.322 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.41 95.77 4.58 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 120.798 2.299 . . . . 0.0 110.969 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.54 -30.4 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 118.335 0.516 . . . . 0.0 111.56 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.53 79.18 1.84 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -168.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -141.37 -28.89 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 118.129 -0.939 . . . . 0.0 111.273 152.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -63.32 1.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 120.062 1.301 . . . . 0.0 110.385 -168.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.57 77.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.697 0.76 . . . . 0.0 111.126 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 73' ' ' LEU . 6.1 mp -57.34 -30.48 64.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.124 1.369 . . . . 0.0 109.642 -173.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.96 -28.73 15.62 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.481 -1.247 . . . . 0.0 108.888 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 1.9 mt-10 -49.3 -39.8 32.41 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.563 1.074 . . . . 0.0 109.664 174.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.33 -23.6 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -46.02 12.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 116.886 -1.53 . . . . 0.0 110.076 169.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 2.2 pp -84.9 -40.25 17.25 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 120.018 1.281 . . . . 0.0 113.718 -162.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -53.14 61.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.4 -3.54 31.08 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.484 -1.385 . . . . 0.0 113.598 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.1 -54.29 22.77 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.9 18.67 0.59 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.889 1.276 . . . . 0.0 111.514 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.295 76.7 p 56.85 16.44 2.74 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.474 1.91 . . . . 0.0 114.305 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.73 -28.85 0.09 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.308 1.043 . . . . 0.0 111.775 -167.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.381 1.872 . . . . 0.0 112.38 175.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.818 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -68.49 99.57 0.98 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.417 -1.049 . . . . 0.0 112.273 -167.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m 60.6 166.82 0.08 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.353 2.261 . . . . 0.0 111.864 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -175.43 -171.99 0.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.538 3.135 . . . . 0.0 105.745 179.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.318 0.0 OUTLIER 72.29 104.05 0.07 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.133 0.968 . . . . 0.0 109.113 -169.153 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -72.41 -59.57 2.66 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.552 1.541 . . . . 0.0 109.06 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -148.7 104.87 3.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.374 1.47 . . . . 0.0 108.878 -157.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -144.06 101.25 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.946 1.698 . . . . 0.0 107.22 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -78.59 -11.01 59.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.704 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -138.3 95.34 2.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.013 2.125 . . . . 0.0 106.482 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -93.24 -91.6 0.18 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -87.52 38.96 0.85 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 120.46 -1.4 . . . . 0.0 111.205 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG23 ' H ' ' A' ' 14' ' ' VAL 0.252 35.9 m -120.66 -72.8 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.571 ' H ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -23.78 -63.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 129.82 3.248 . . . . 0.0 114.221 171.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 38' ' ' HIS . 24.5 tp -76.41 -26.61 55.71 Favored 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 121.33 -0.856 . . . . 0.0 112.958 -171.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.14 -48.07 83.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 166.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 m -66.96 -6.11 15.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.9 -29.01 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 119.906 1.23 . . . . 0.0 113.108 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -108.21 -77.53 0.6 Allowed 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 121.006 -1.059 . . . . 0.0 109.316 -173.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' H ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -48.26 -25.05 1.37 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.739 174.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -28.92 -47.34 0.05 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 128.544 2.738 . . . . 0.0 110.503 170.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . 0.455 0.0 OUTLIER -142.66 -10.86 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 117.195 2.295 . . . . 0.0 117.195 160.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -86.03 -34.68 20.69 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.37 1.441 . . . . 0.0 112.897 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' H ' ' HA ' ' A' ' 20' ' ' GLN . 7.5 p -142.76 52.27 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 124.404 1.065 . . . . 0.0 112.195 -167.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -82.91 177.55 8.58 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.265 -1.522 . . . . 0.0 114.78 -172.12 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.435 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 1.8 t 51.37 73.31 0.31 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 129.1 2.96 . . . . 0.0 110.951 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -159.53 155.87 27.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -159.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 p -168.49 17.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.326 1.451 . . . . 0.0 113.365 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 -100.74 0.43 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.516 1.507 . . . . 0.0 112.448 -165.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 -46.38 77.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.44 1.473 . . . . 0.0 110.976 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.494 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -60.31 -40.49 90.73 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.86 81.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.648 1.579 . . . . 0.0 111.323 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -12.42 4.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.923 1.689 . . . . 0.0 112.516 172.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 t -110.68 -23.44 11.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.943 1.297 . . . . 0.0 112.858 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -39.91 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 170.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -51.79 -46.16 64.1 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.603 1.092 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -29.21 64.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.608 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.53 -31.73 56.82 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.799 1.181 . . . . 0.0 111.463 176.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 122.288 1.042 . . . . 0.0 110.395 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -64.74 -43.51 93.13 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.333 1.053 . . . . 0.0 110.363 174.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 22.8 mm -60.7 -20.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-O 116.176 -1.869 . . . . 0.0 111.564 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -32.86 59.88 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 122.189 2.268 . . . . 0.0 112.573 173.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . 0.278 2.3 mp -105.03 42.02 1.27 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.912 1.233 . . . . 0.0 110.265 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.46 93.7 8.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.253 11.6 tmtt? 71.15 -70.6 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.061 1.745 . . . . 0.0 110.67 -174.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.78 163.18 38.67 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.125 1.37 . . . . 0.0 108.646 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -49.15 -36.43 19.26 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.376 1.87 . . . . 0.0 113.029 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.0 m -74.18 -70.72 0.37 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.894 1.277 . . . . 0.0 110.315 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.26 -25.14 65.46 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 111.494 -171.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -55.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 127.305 2.242 . . . . 0.0 111.714 165.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -34.45 55.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.505 0.322 . . . . 0.0 111.412 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 2.9 mm-40 -52.36 -61.65 2.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.473 1.509 . . . . 0.0 109.488 171.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.51 -28.2 69.14 Favored 'General case' 0 C--N 1.333 -0.133 0 O-C-N 120.869 -1.145 . . . . 0.0 111.844 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.643 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.99 -22.85 64.06 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.629 1.104 . . . . 0.0 110.471 -174.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -82.0 -37.48 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.717 1.607 . . . . 0.0 107.717 170.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -60.21 -45.35 93.48 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -50.01 -50.43 47.37 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.447 172.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mt -70.16 -18.2 63.2 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.344 -175.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -56.15 19.23 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.856 1.207 . . . . 0.0 110.28 167.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.26 -29.0 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-O 122.24 1.019 . . . . 0.0 110.962 -170.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -68.37 -31.28 70.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.213 -1.554 . . . . 0.0 110.643 173.004 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -63.42 -28.98 70.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 120.45 1.477 . . . . 0.0 108.478 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -58.96 -55.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 22.2 ptp -68.32 -28.73 67.41 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 123.138 0.575 . . . . 0.0 112.212 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -34.85 78.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.09 49.45 0.03 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-O 118.533 -1.148 . . . . 0.0 112.358 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.33 90.84 2.34 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.649 1.725 . . . . 0.0 112.039 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.2 -32.23 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.331 -0.856 . . . . 0.0 112.848 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -134.63 90.66 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 127.777 2.431 . . . . 0.0 105.701 -171.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 62' ' ' LEU . 6.0 tp -155.67 17.36 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 121.625 -0.672 . . . . 0.0 112.065 167.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -92.59 -72.77 0.58 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -72.97 -33.5 65.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -163.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.07 -1.69 49.38 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.507 1.123 . . . . 0.0 110.248 172.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 t -97.85 -41.43 8.04 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 116.37 -1.776 . . . . 0.0 106.413 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -26.54 -40.93 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 130.775 3.63 . . . . 0.0 115.903 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.36 -16.39 2.2 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.137 -1.602 . . . . 0.0 115.2 170.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -6.62 22.33 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.087 1.755 . . . . 0.0 111.365 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -124.14 -69.62 0.8 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 107.915 -173.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.09 -48.68 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.946 1.298 . . . . 0.0 108.559 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -5.32 44.1 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.983 -1.073 . . . . 0.0 112.437 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -60.91 -50.55 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 119.893 -1.754 . . . . 0.0 108.574 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.04 5.1 0.28 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 124.286 0.991 . . . . 0.0 112.848 -175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.2 p 44.56 43.58 6.56 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.602 1.092 . . . . 0.0 111.501 -155.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -50.92 0.53 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-O 116.844 -1.551 . . . . 0.0 111.674 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.87 0 C-N-CA 125.748 1.619 . . . . 0.0 110.064 175.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.16 166.89 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 127.728 2.411 . . . . 0.0 113.896 -168.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 44.12 100.65 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 C-N-CA 127.996 2.519 . . . . 0.0 113.473 -171.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HE2' ' CB ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -149.6 -156.42 0.72 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 172.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 tpt -22.86 83.79 0.0 OUTLIER 'General case' 0 C--O 1.235 0.341 1 C-N-CA 131.806 4.043 . . . . 0.0 111.615 -169.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -90.1 -83.55 0.25 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -122.95 104.27 9.14 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.556 1.942 . . . . 0.0 106.834 -166.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 5.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 112.161 -2.29 . . . . 0.0 108.382 -165.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 71.62 -36.07 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 129.717 3.207 . . . . 0.0 111.356 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 9.0 p -81.14 -96.68 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 123.828 0.851 . . . . 0.0 110.989 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.371 0.5 OUTLIER 45.13 -91.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.564 2.346 . . . . 0.0 111.115 -170.129 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.428 ' H ' ' CG2' ' A' ' 11' ' ' THR . 3.1 p -82.35 49.85 1.51 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.924 1.689 . . . . 0.0 112.098 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 10' ' ' CYS . 19.2 m -120.18 -52.59 3.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 161.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 m -48.5 -62.29 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 124.265 1.026 . . . . 0.0 111.911 -171.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.31 -25.83 64.43 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.448 -1.408 . . . . 0.0 111.877 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.48 -2.91 34.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.81 2.044 . . . . 0.0 112.946 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -120.63 -5.59 9.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.554 1.942 . . . . 0.0 110.523 174.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -120.98 -35.44 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.38 -67.84 0.84 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.451 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -51.86 -34.05 39.16 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -34.54 -48.1 0.35 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.31 2.244 . . . . 0.0 111.818 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.13 -32.18 0.96 Allowed 'General case' 0 C--N 1.34 0.193 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -81.99 -55.11 4.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.839 1.2 . . . . 0.0 110.176 -166.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.499 ' HB ' HD13 ' A' ' 62' ' ' LEU . 2.9 p -107.29 55.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 125.496 1.519 . . . . 0.0 107.275 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.2 67.22 3.97 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.256 -174.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.6 157.09 44.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.874 1.67 . . . . 0.0 109.757 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 p -86.1 8.72 19.69 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.94 2.896 . . . . 0.0 113.649 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -71.79 178.15 3.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.376 1.071 . . . . 0.0 112.775 -160.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.16 -26.86 13.2 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.824 -1.173 . . . . 0.0 111.51 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.8 -49.26 77.21 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.593 1.088 . . . . 0.0 110.187 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.485 ' NE1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.01 -38.74 82.97 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.543 -0.723 . . . . 0.0 111.134 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.29 75.71 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.728 1.211 . . . . 0.0 110.602 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -13.79 5.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.585 1.954 . . . . 0.0 113.3 173.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.93 -27.47 11.68 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 120.207 1.367 . . . . 0.0 111.768 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.95 -34.47 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.082 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.87 -42.42 65.24 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.052 0.842 . . . . 0.0 111.916 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -41.19 79.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.87 -1.144 . . . . 0.0 110.42 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -34.48 57.78 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.82 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.87 -44.59 91.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.861 0.755 . . . . 0.0 109.681 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -39.51 74.73 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.917 1.287 . . . . 0.0 109.626 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.9 -16.42 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 O-C-N 119.608 -1.932 . . . . 0.0 111.986 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -26.14 60.47 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 121.988 2.177 . . . . 0.0 113.633 174.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -116.99 46.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.576 0.703 . . . . 0.0 110.117 174.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.44 24.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.338 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -141.91 -71.56 0.34 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.41 156.05 49.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.148 2.179 . . . . 0.0 106.121 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -51.55 -31.41 24.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.678 2.391 . . . . 0.0 112.998 -173.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.5 m -68.45 -80.29 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.696 1.998 . . . . 0.0 109.314 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -28.33 37.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.437 1.495 . . . . 0.0 112.699 -171.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.64 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.878 2.071 . . . . 0.0 110.668 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -36.64 55.43 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.353 0.661 . . . . 0.0 111.204 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -52.92 -61.43 2.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.891 0.876 . . . . 0.0 109.769 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -62.23 -29.14 70.18 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 120.697 -1.252 . . . . 0.0 110.724 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.81 70.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.236 1.414 . . . . 0.0 109.015 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.577 ' HB ' HE22 ' A' ' 85' ' ' GLN . 4.4 t -76.69 -44.74 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.622 1.569 . . . . 0.0 109.055 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.9 p -53.66 -50.69 65.23 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.742 0.701 . . . . 0.0 112.493 -168.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -51.33 8.82 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.901 1.281 . . . . 0.0 111.577 173.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' NE1' ' A' ' 31' ' ' TRP . 1.2 mp -71.48 -21.94 61.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.546 -170.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 81.5 p -64.2 -52.11 60.48 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 119.145 0.884 . . . . 0.0 110.745 173.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.75 -40.54 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.54 -29.8 69.37 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.094 1.358 . . . . 0.0 111.617 175.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HB ' ' A' ' 24' ' ' VAL . 22.0 tp -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 120.476 1.489 . . . . 0.0 109.879 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 m -55.82 -65.82 0.53 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.418 1.008 . . . . 0.0 110.469 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.5 ptp -63.35 -26.15 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.678 0.791 . . . . 0.0 112.798 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -26.31 64.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.604 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.23 26.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.763 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.847 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.96 112.7 19.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 120.976 2.388 . . . . 0.0 111.468 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.71 -35.0 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.52 170.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -152.62 86.55 1.27 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.8 tp -129.21 -36.23 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-O 117.123 -1.417 . . . . 0.0 110.392 157.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -42.54 -68.16 0.21 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.334 1.454 . . . . 0.0 110.963 -169.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.28 -38.05 86.88 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.672 -0.642 . . . . 0.0 112.645 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.5 mp -68.01 -7.56 30.08 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.331 1.852 . . . . 0.0 111.334 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.97 -38.68 5.27 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.44 -30.11 27.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 121.437 1.926 . . . . 0.0 112.75 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -71.86 -30.62 65.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.233 -1.542 . . . . 0.0 111.083 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 ttt -83.35 1.38 41.56 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 127.241 2.216 . . . . 0.0 112.049 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -125.21 -52.81 1.63 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.788 1.235 . . . . 0.0 111.032 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -71.91 -74.24 0.16 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -69.2 8.47 0.57 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.091 -1.631 . . . . 0.0 114.18 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 tpt85 -56.41 -57.89 10.37 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.691 1.596 . . . . 0.0 111.143 158.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.49 17.43 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.966 2.107 . . . . 0.0 111.608 -161.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.28 2.2 p 54.69 45.98 25.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.706 2.802 . . . . 0.0 113.219 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.39 -36.77 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.577 HE22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.977 0.911 . . . . 0.0 110.487 -163.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 179.72 8.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.847 1.259 . . . . 0.0 107.877 167.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 42.07 80.85 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.179 1.792 . . . . 0.0 113.914 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -139.85 -23.78 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 2.1 tpt -141.81 80.61 1.73 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 103.667 -2.716 . . . . 0.0 103.667 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -68.05 -80.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.107 1.363 . . . . 0.0 110.532 -174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -147.93 145.72 28.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 163.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -145.85 11.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 C-N-CA 129.234 3.014 . . . . 0.0 106.177 -158.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 73.32 -26.35 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 130.614 3.566 . . . . 0.0 112.294 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.6 m -135.65 52.3 2.01 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.683 1.593 . . . . 0.0 109.963 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.1 p -77.94 -86.16 0.06 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.067 -1.021 . . . . 0.0 109.417 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 38.08 0.68 Allowed 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.861 -1.149 . . . . 0.0 110.377 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 m -106.57 -23.79 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.922 1.289 . . . . 0.0 108.07 169.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -69.18 -75.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.075 2.15 . . . . 0.0 108.345 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 58' ' ' LEU . 25.6 tp -62.66 -29.17 70.44 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.253 -0.904 . . . . 0.0 112.599 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 mt -69.9 -17.52 63.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.329 0.651 . . . . 0.0 112.746 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -93.98 -4.7 49.18 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.966 0.907 . . . . 0.0 112.049 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.99 -67.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 119.874 1.215 . . . . 0.0 110.549 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -70.5 0.29 Allowed 'General case' 0 N--CA 1.462 0.155 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -171.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.69 -22.9 48.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 125.045 1.338 . . . . 0.0 113.556 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -44.59 -33.27 1.72 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.816 2.046 . . . . 0.0 111.807 -176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -148.3 -28.04 0.32 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 162.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -74.29 -37.89 63.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.85 0.75 . . . . 0.0 112.129 -164.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.6 60.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.382 1.473 . . . . 0.0 108.03 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.47 158.44 4.37 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 112.253 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CH2' ' A' ' 31' ' ' TRP . 79.1 p -58.9 4.28 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.502 3.121 . . . . 0.0 118.489 -151.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 t -85.1 -2.0 57.5 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -150.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -156.13 133.6 10.88 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 122.729 2.513 . . . . 0.0 113.261 -169.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.57 -36.66 81.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.865 2.066 . . . . 0.0 114.827 -167.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.21 73.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.564 1.075 . . . . 0.0 110.773 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.513 ' HE1' HD21 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.73 -44.08 90.37 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.494 -0.754 . . . . 0.0 109.597 177.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -29.65 70.66 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.686 1.594 . . . . 0.0 112.571 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.38 -13.89 59.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.003 0.921 . . . . 0.0 111.349 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -27.96 12.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 125.419 1.488 . . . . 0.0 112.323 167.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.17 -39.85 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.05 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.81 -43.92 66.27 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 120.288 1.404 . . . . 0.0 111.805 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.68 91.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.755 1.222 . . . . 0.0 110.745 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -34.0 37.61 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.849 1.204 . . . . 0.0 112.864 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.86 -28.42 69.54 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.539 1.638 . . . . 0.0 110.978 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.585 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -88.58 -34.97 17.14 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.855 -1.153 . . . . 0.0 110.687 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.03 -17.91 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 125.438 1.495 . . . . 0.0 112.453 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -19.71 9.04 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 122.091 2.223 . . . . 0.0 113.171 170.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.47 HD12 ' HE2' ' A' ' 4' ' ' LYS . 62.4 mt -118.77 43.44 2.54 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.747 2.419 . . . . 0.0 111.279 173.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -80.12 -15.69 56.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.53 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -167.73 -65.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 171.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -156.16 168.94 25.7 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 128.722 2.809 . . . . 0.0 107.11 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -48.75 -47.5 41.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.147 1.779 . . . . 0.0 113.787 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 m -64.59 -68.04 0.39 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.097 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.6 -40.73 13.4 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.834 1.654 . . . . 0.0 112.112 -174.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -57.95 -79.25 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 128.391 2.676 . . . . 0.0 110.67 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -27.41 64.49 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.404 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -57.52 -51.79 68.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 119.96 -1.712 . . . . 0.0 110.248 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -77.01 -22.39 53.17 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.808 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 ttm -51.98 -45.94 64.67 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.141 1.776 . . . . 0.0 111.356 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.42 -36.33 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.0 m -63.17 -54.79 32.2 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 117.223 -1.37 . . . . 0.0 112.095 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.13 -61.12 1.06 Allowed 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 124.598 1.159 . . . . 0.0 110.286 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' A' ' 31' ' ' TRP . 1.2 mp -66.36 -21.99 66.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.777 -1.106 . . . . 0.0 113.285 -171.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.8 m -70.57 -48.31 55.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.216 0.917 . . . . 0.0 111.299 170.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -67.57 -44.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 121.276 -0.89 . . . . 0.0 108.995 -177.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -57.97 -27.19 63.22 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.435 2.294 . . . . 0.0 110.934 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.06 -22.69 64.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.526 1.057 . . . . 0.0 109.662 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -56.36 -56.59 19.2 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.661 1.184 . . . . 0.0 110.503 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.4 ptm -73.3 -25.4 60.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.919 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -24.57 64.77 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.659 0.6 . . . . 0.0 109.602 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 31.11 0.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.806 1.193 . . . . 0.0 114.399 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.28 54.7 1.44 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 119.117 1.458 . . . . 0.0 109.372 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -56.11 -18.85 6.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.176 -0.953 . . . . 0.0 113.1 -167.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.95 86.94 2.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.53 1.532 . . . . 0.0 108.037 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.1 tp -145.02 19.83 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.303 1.441 . . . . 0.0 111.673 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -120.06 -47.31 2.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 O-C-N 121.131 -0.981 . . . . 0.0 109.876 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -72.53 -64.8 0.88 Allowed 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.725 0.81 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.846 ' H ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -68.1 0.49 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 173.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.49 -6.75 20.34 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 116.006 -1.949 . . . . 0.0 109.629 171.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -26.69 34.89 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 122.252 2.296 . . . . 0.0 111.503 -171.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.96 -12.12 3.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.982 1.713 . . . . 0.0 112.986 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.3 mtp -121.5 -4.46 9.32 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 111.023 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -67.28 0.94 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.828 2.051 . . . . 0.0 108.815 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -57.72 11.67 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 108.218 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -65.72 -5.89 9.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.969 1.308 . . . . 0.0 113.389 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -68.82 -41.69 78.24 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.529 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -159.21 13.95 0.15 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 167.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p 54.29 46.31 25.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.192 1.797 . . . . 0.0 112.997 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.68 -36.07 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.408 HE22 ' HB3' ' A' ' 82' ' ' ALA . 16.2 mp0 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.6 2.36 . . . . 0.0 112.642 -167.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.917 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 178.92 -63.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.035 2.134 . . . . 0.0 108.033 163.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 59.1 115.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.612 1.965 . . . . 0.0 111.506 -168.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -28.49 17.88 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.488 -0.758 . . . . 0.0 112.306 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.59 87.23 1.92 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -66.04 -62.25 1.59 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -167.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -143.04 109.49 5.37 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 103.282 -2.859 . . . . 0.0 103.282 -166.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.01 5.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 124.096 0.959 . . . . 0.0 108.585 -155.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp 78.18 -31.7 0.16 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.306 2.642 . . . . 0.0 109.808 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' A' ' 13' ' ' VAL . 81.1 m -69.39 -107.05 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.323 -1.322 . . . . 0.0 109.884 144.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.276 98.7 m 56.47 -105.24 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.011 -164.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.36 60.94 5.94 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.887 2.13 . . . . 0.0 110.347 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 10' ' ' CYS 0.29 3.6 m -120.6 -75.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 118.386 -0.816 . . . . 0.0 108.954 160.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.274 1.0 OUTLIER -53.59 -53.15 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 119.473 1.033 . . . . 0.0 111.863 -163.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD21 HD22 ' A' ' 58' ' ' LEU . 5.4 tt -60.85 -41.66 96.28 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 1.4 mp -64.97 -13.62 57.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.78 0.832 . . . . 0.0 113.092 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -105.82 0.7 26.26 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.964 1.706 . . . . 0.0 111.715 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -115.41 -65.51 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 110.093 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 HG13 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.76 -65.31 1.03 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -165.322 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.33 -25.02 5.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 117.002 -1.475 . . . . 0.0 112.741 172.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.641 ' O ' HD22 ' A' ' 22' ' ' LEU . 13.9 tm0? -32.42 -56.41 0.34 Allowed 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 128.986 2.914 . . . . 0.0 108.749 -177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -138.02 -5.85 1.66 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 125.318 1.636 . . . . 0.0 114.307 171.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -45.62 13.53 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 120.594 1.543 . . . . 0.0 110.257 -172.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -139.86 63.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 126.948 2.099 . . . . 0.0 106.233 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -31.54 45.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.53 1.132 . . . . 0.0 111.089 -177.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 p 153.8 163.47 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 130.142 3.377 . . . . 0.0 110.033 144.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m -125.9 -59.56 1.34 Allowed 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 164.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -147.47 -177.42 5.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.305 1.05 . . . . 0.0 112.846 -169.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.32 -10.81 0.98 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.126 164.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.09 -63.78 1.1 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.672 1.578 . . . . 0.0 109.896 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -42.01 63.68 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.769 0.795 . . . . 0.0 110.193 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.71 -29.23 70.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.939 0.896 . . . . 0.0 111.914 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.73 -12.2 15.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.68 0.792 . . . . 0.0 112.217 172.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -26.83 8.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.17 1.388 . . . . 0.0 110.942 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.56 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.646 169.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 2.2 pt20 -63.7 -72.91 0.13 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 121.258 1.844 . . . . 0.0 110.666 167.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' H ' ' HG3' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -53.7 -26.87 24.88 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 127.866 2.466 . . . . 0.0 113.236 -167.06 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -49.57 -33.98 16.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.943 0.792 . . . . 0.0 112.806 173.096 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -68.84 -31.67 70.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.069 1.347 . . . . 0.0 111.482 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.43 -52.77 23.69 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.7 mm -49.54 -24.24 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 127.832 2.453 . . . . 0.0 114.887 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.4 mm? -60.89 -19.15 59.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 123.371 2.805 . . . . 0.0 113.01 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 43' ' ' LEU . 1.2 mp -118.13 42.93 2.57 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 119.488 1.04 . . . . 0.0 109.775 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.13 -62.54 1.36 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.802 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -128.93 -61.03 1.07 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.132 0.573 . . . . 0.0 110.906 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -153.08 166.88 31.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.3 m -50.5 -38.34 43.79 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.117 1.367 . . . . 0.0 112.291 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -73.44 -69.72 0.41 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.609 0.641 . . . . 0.0 109.802 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -61.73 -24.7 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.757 0.789 . . . . 0.0 112.259 -163.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.5 -75.34 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.092 2.557 . . . . 0.0 111.741 166.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -40.39 54.35 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.158 0.583 . . . . 0.0 109.797 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.0 -50.49 68.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.099 0.559 . . . . 0.0 109.892 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -68.1 -26.02 65.61 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.651 -0.656 . . . . 0.0 112.091 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -36.15 68.19 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.906 0.775 . . . . 0.0 111.144 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HD23 ' A' ' 19' ' ' LEU . 3.3 t -70.2 -43.36 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.481 173.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -40.92 89.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.162 1.347 . . . . 0.0 114.037 -168.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -55.52 8.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 118.166 0.439 . . . . 0.0 109.887 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD22 HD21 ' A' ' 15' ' ' LEU . 1.7 mp -69.54 -31.18 69.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.754 -175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -54.48 -55.34 29.97 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.172 0.897 . . . . 0.0 110.183 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.42 -25.1 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 122.928 0.491 . . . . 0.0 110.513 -171.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -71.9 -32.23 67.19 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.951 1.7 . . . . 0.0 111.487 176.071 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -30.38 60.34 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.522 1.51 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.6 t -52.42 -63.51 1.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.829 1.652 . . . . 0.0 109.754 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.4 ptm -68.82 -25.25 64.58 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.01 0.524 . . . . 0.0 111.54 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -9.38 42.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.764 0.826 . . . . 0.0 111.173 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.45 36.27 1.95 Allowed Glycine 0 C--N 1.336 0.562 0 C-N-CA 124.337 0.97 . . . . 0.0 111.969 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.56 157.23 17.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.374 1.087 . . . . 0.0 108.465 164.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.55 -50.79 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 159.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.23 42.21 1.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.295 1.438 . . . . 0.0 110.242 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.34 -54.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 CA-C-O 116.166 -1.873 . . . . 0.0 107.516 161.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -38.11 -68.0 0.17 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.184 1.811 . . . . 0.0 113.39 -165.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -78.22 -27.41 47.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.235 0.925 . . . . 0.0 113.294 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -66.9 -10.3 47.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.078 0.551 . . . . 0.0 110.154 171.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.429 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.9 t -111.86 -32.19 6.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.7 -35.26 30.25 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 120.554 1.525 . . . . 0.0 111.001 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.75 -54.03 32.62 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 123.321 1.534 . . . . 0.0 109.475 171.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.15 2.65 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 128.14 2.576 . . . . 0.0 115.508 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 74' ' ' CYS . 2.9 pp -140.67 -53.1 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.056 1.298 . . . . 0.0 111.025 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.13 -30.72 66.85 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.265 -1.522 . . . . 0.0 111.118 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -93.38 1.34 56.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 119.477 -2.014 . . . . 0.0 111.925 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -61.92 2.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 161.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.95 15.4 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.31 -158.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.308 25.2 p 54.74 26.32 7.46 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 -27.27 0.97 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.229 1.412 . . . . 0.0 114.387 -169.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.4 HE22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 116.357 -1.782 . . . . 0.0 113.134 -158.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -137.87 -53.02 0.64 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.722 1.209 . . . . 0.0 108.8 164.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -165.07 17.45 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.734 0.814 . . . . 0.0 112.559 -160.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -76.51 156.63 32.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.997 -1.065 . . . . 0.0 108.819 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.19 49.29 20.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.178 1.391 . . . . 0.0 111.541 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 p -63.55 -65.38 0.69 Allowed 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 124.87 1.268 . . . . 0.0 111.792 -165.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -146.3 104.91 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.492 1.917 . . . . 0.0 107.681 -162.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.27 9.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.727 -155.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp 72.82 -27.05 0.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.176 2.591 . . . . 0.0 113.287 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' HA ' HG22 ' A' ' 13' ' ' VAL . 64.7 m -129.49 1.24 5.03 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.751 1.62 . . . . 0.0 112.218 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -48.35 -55.24 11.24 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 125.816 1.647 . . . . 0.0 109.255 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -105.52 37.68 2.16 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.531 0.732 . . . . 0.0 110.676 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.2 m -119.66 -40.75 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 120.712 -1.243 . . . . 0.0 111.285 168.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.294 23.0 m -57.58 -51.39 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 119.327 0.967 . . . . 0.0 112.38 -167.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.35 -30.14 60.16 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.696 -1.252 . . . . 0.0 111.159 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.4 -8.02 7.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.984 0.914 . . . . 0.0 112.613 168.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -120.75 1.03 10.49 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.985 1.314 . . . . 0.0 111.977 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.67 -24.67 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -70.72 0.78 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 118.666 0.666 . . . . 0.0 109.785 -172.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -21.43 3.84 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 172.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -44.69 -34.4 2.21 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.448 1.499 . . . . 0.0 110.906 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.72 -61.38 0.54 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.853 1.661 . . . . 0.0 111.056 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.29 66.36 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -160.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.252 7.7 p -136.81 48.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 124.019 0.928 . . . . 0.0 110.65 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -12.18 61.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.31 0.644 . . . . 0.0 110.425 174.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.38 87.26 0.3 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 166.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.3 m -60.27 153.51 22.24 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.503 -0.748 . . . . 0.0 110.162 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 t -162.03 -169.91 2.35 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.592 2.757 . . . . 0.0 104.794 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -92.47 -11.5 34.51 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.792 -1.099 . . . . 0.0 112.109 155.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD11 ' SD ' ' A' ' 64' ' ' MET . 20.9 tp -62.46 -67.54 0.41 Allowed 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.556 1.071 . . . . 0.0 110.695 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -37.28 63.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.397 -0.814 . . . . 0.0 110.788 175.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.77 70.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.636 0.774 . . . . 0.0 110.757 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.54 -21.46 65.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.5 1.52 . . . . 0.0 112.967 173.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.7 -45.25 14.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 119.678 1.126 . . . . 0.0 110.874 158.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -52.96 -38.56 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.925 -166.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.15 -14.7 0.46 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.38 -29.39 10.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.198 2.199 . . . . 0.0 110.388 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -53.14 -37.3 61.7 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 122.519 2.418 . . . . 0.0 113.074 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -63.15 -27.24 69.24 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.673 1.589 . . . . 0.0 110.795 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.0 t0 -79.86 -44.7 20.01 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.448 1.099 . . . . 0.0 110.488 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 14.0 mm -57.53 -15.27 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 128.298 2.639 . . . . 0.0 112.041 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -22.55 60.01 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 122.437 2.38 . . . . 0.0 113.059 174.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.75 53.96 1.24 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.927 1.691 . . . . 0.0 107.777 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -68.27 -47.61 67.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.33 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 -68.74 0.25 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.944 1.298 . . . . 0.0 107.986 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -133.15 158.29 43.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.788 2.035 . . . . 0.0 107.571 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -53.85 -34.49 59.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.715 1.143 . . . . 0.0 113.403 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.0 m -77.77 -68.51 0.62 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.616 0.766 . . . . 0.0 109.129 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -60.81 -14.37 21.29 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.481 1.113 . . . . 0.0 112.719 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -63.76 -75.8 0.08 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 128.245 2.618 . . . . 0.0 113.047 162.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -34.83 70.29 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.058 -0.401 . . . . 0.0 110.156 -173.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -53.01 -50.73 63.62 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.267 1.027 . . . . 0.0 109.724 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -62.52 -36.85 83.88 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.009 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.56 ' HA ' HD11 ' A' ' 57' ' ' LEU . 2.3 ttt -52.74 -17.6 1.42 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.468 2.707 . . . . 0.0 112.523 170.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.64 -24.77 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 O-C-N 119.874 -1.766 . . . . 0.0 108.135 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.8 t -59.96 -59.97 4.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 126.13 1.772 . . . . 0.0 114.317 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -47.7 -53.59 14.61 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 126.055 1.742 . . . . 0.0 112.06 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' H ' HD12 ' A' ' 57' ' ' LEU 0.287 3.7 mp -58.01 -36.57 72.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 117.058 -1.857 . . . . 0.0 112.224 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -1.15 4.7 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 p -120.22 -31.01 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 122.257 2.299 . . . . 0.0 111.831 169.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -56.9 -34.88 68.36 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.741 -1.225 . . . . 0.0 108.855 164.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.85 -15.72 13.9 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.213 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 65.5 m -55.76 -12.28 1.25 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.104 1.362 . . . . 0.0 114.347 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 30' ' ' LEU . 2.3 ptt? -120.11 -33.42 3.94 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.603 1.561 . . . . 0.0 113.368 171.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -56.63 -42.18 78.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.936 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.8 68.2 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -150.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 63' ' ' SER . . . -108.76 -138.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.736 1.614 . . . . 0.0 109.866 166.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.402 0.9 OUTLIER 57.66 -30.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 1 C-N-CA 131.977 4.111 . . . . 0.0 113.046 -162.094 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -120.62 66.2 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 128.5 2.72 . . . . 0.0 106.356 167.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tp -140.82 6.6 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 165.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -81.18 -71.1 0.49 Allowed 'General case' 0 C--O 1.222 -0.354 0 O-C-N 120.46 -1.4 . . . . 0.0 108.494 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.5 -53.02 25.94 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.933 . . . . 0.0 112.768 -165.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -66.23 1.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.978 174.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.0 t -116.38 -17.33 10.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 120.39 1.45 . . . . 0.0 112.524 168.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -28.72 65.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 121.649 2.022 . . . . 0.0 110.053 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.8 -4.47 37.89 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 mtt -121.13 -0.56 9.94 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.142 3.377 . . . . 0.0 112.904 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.19 -71.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 -174.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -48.86 79.02 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.292 1.037 . . . . 0.0 108.389 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.05 -0.6 19.5 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.258 1.423 . . . . 0.0 113.848 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -71.48 -46.29 60.25 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.653 -1.279 . . . . 0.0 109.77 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.525 ' HB3' HE22 ' A' ' 85' ' ' GLN . . . -164.98 21.94 0.05 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.889 1.675 . . . . 0.0 111.26 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.6 p 49.55 53.75 12.17 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.246 1.418 . . . . 0.0 112.837 -172.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tp -154.51 -32.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.525 HE22 ' HB3' ' A' ' 82' ' ' ALA . 26.7 mp0 . . . . . 0 C--O 1.247 0.941 0 C-N-CA 129.547 3.139 . . . . 0.0 110.805 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.981 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.6 m80 63.32 86.34 0.12 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.574 1.95 . . . . 0.0 110.547 -160.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -135.99 146.31 47.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 162.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.88 3.9 47.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.593 1.157 . . . . 0.0 112.211 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -138.19 95.02 2.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 107.367 -161.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.253 1.5 p -66.18 64.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.482 3.513 . . . . 0.0 113.81 -173.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 80.46 130.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 1 C-N-CA 132.183 4.193 . . . . 0.0 110.122 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.15 101.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-O 124.172 1.939 . . . . 0.0 106.657 -175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -76.65 15.67 0.6 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.175 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.7 m -134.73 -82.12 0.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.774 1.63 . . . . 0.0 109.97 -168.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.267 54.3 m 64.49 -103.59 0.11 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.864 -1.065 . . . . 0.0 109.53 174.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -89.32 38.2 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.506 1.957 . . . . 0.0 111.733 -173.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 m -108.89 -53.11 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 121.089 -1.007 . . . . 0.0 110.505 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.17 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 125.348 1.459 . . . . 0.0 110.458 -169.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.1 tt -63.57 -36.32 83.42 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.864 -0.523 . . . . 0.0 109.888 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 20' ' ' GLN . 4.0 mp -64.76 -17.89 64.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.241 1.016 . . . . 0.0 111.078 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -100.97 0.61 38.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.86 2.064 . . . . 0.0 112.794 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -116.66 -73.42 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 124.929 1.292 . . . . 0.0 110.242 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -90.66 -64.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -161.002 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.24 -25.6 34.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.394 173.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -35.83 -41.61 0.23 Allowed 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.166 2.586 . . . . 0.0 112.013 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -34.36 0.93 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.336 1.054 . . . . 0.0 112.48 173.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -77.97 0.09 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 119.427 1.012 . . . . 0.0 109.122 -171.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.84 54.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.614 1.165 . . . . 0.0 109.435 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.09 -24.31 53.11 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -173.67 162.48 4.11 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 127.688 2.395 . . . . 0.0 107.99 152.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -175.54 121.45 0.19 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 156.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 19.9 t 54.23 -163.46 0.11 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.237 1.415 . . . . 0.0 111.595 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -85.21 -2.01 57.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 117.887 -1.054 . . . . 0.0 111.297 151.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 ' C ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -46.01 -68.31 0.21 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.775 1.63 . . . . 0.0 110.033 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.441 ' CD1' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.839 0.828 . . . . 0.0 110.415 -177.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.23 -28.13 69.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.655 1.582 . . . . 0.0 111.954 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -32.42 70.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.399 1.079 . . . . 0.0 111.436 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -87.05 -32.06 20.18 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.503 1.047 . . . . 0.0 110.521 168.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -17.27 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-O 117.216 -1.373 . . . . 0.0 111.957 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.97 -70.77 0.25 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 121.026 1.739 . . . . 0.0 109.558 165.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -28.21 13.67 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 127.438 2.295 . . . . 0.0 113.613 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -52.32 -25.02 8.53 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 121.338 1.881 . . . . 0.0 112.81 170.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.1 t30 -65.62 -43.62 88.97 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.082 1.353 . . . . 0.0 110.349 172.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.63 -11.49 60.87 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 119.95 -1.719 . . . . 0.0 111.116 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.75 -15.04 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 119.912 -1.743 . . . . 0.0 111.567 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -55.42 -33.37 63.49 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 122.446 2.384 . . . . 0.0 111.308 -178.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -113.23 56.43 0.69 Allowed 'General case' 0 C--N 1.342 0.245 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.24 -36.24 24.75 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.52 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.59 -69.57 0.11 Allowed 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.326 1.05 . . . . 0.0 108.576 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -146.88 166.5 26.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 125.98 1.712 . . . . 0.0 107.605 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -60.11 -29.28 68.5 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.462 -0.78 . . . . 0.0 113.017 -168.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.8 m -78.33 -67.79 0.7 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.73 -30.8 23.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.073 1.749 . . . . 0.0 115.082 -172.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -56.31 -86.21 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.311 1.844 . . . . 0.0 110.108 168.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -34.85 13.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.641 0.776 . . . . 0.0 111.482 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.15 -56.74 17.86 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.392 1.077 . . . . 0.0 111.155 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -61.14 -26.07 67.43 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.756 1.162 . . . . 0.0 110.644 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.454 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.86 -27.41 67.51 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -174.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t -85.26 -38.8 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 125.269 1.428 . . . . 0.0 107.924 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.2 p -74.73 -29.87 61.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.978 -166.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -47.8 -56.95 6.26 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 164.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 HD21 ' A' ' 15' ' ' LEU . 2.4 mp -61.44 -29.48 69.98 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.731 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -35.96 76.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.398 1.454 . . . . 0.0 113.012 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.9 -38.4 14.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.884 0.473 . . . . 0.0 110.136 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -62.35 -31.15 71.75 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.939 1.695 . . . . 0.0 110.663 174.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.5 -29.12 23.41 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.182 0.993 . . . . 0.0 111.09 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -53.45 -66.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.12 1.368 . . . . 0.0 109.643 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.4 ' HG3' HD21 ' A' ' 30' ' ' LEU . 17.4 ptm -65.45 -27.83 68.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.26 0.553 . . . . 0.0 111.423 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.27 51.84 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.726 1.21 . . . . 0.0 110.293 173.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.51 17.23 0.98 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.639 1.59 . . . . 0.0 113.223 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.77 157.49 15.92 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 119.306 1.553 . . . . 0.0 110.268 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.84 -59.51 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.038 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -133.39 74.7 1.57 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.414 -2.81 . . . . 0.0 103.414 -168.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 tp -145.55 6.64 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.257 0.623 . . . . 0.0 112.001 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.29 -77.12 0.24 Allowed 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 159.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -58.26 -60.03 4.4 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.887 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -62.76 -13.87 38.06 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.006 0.923 . . . . 0.0 112.742 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.26 -34.63 20.34 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.665 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' ' HG ' ' A' ' 78' ' ' LEU . 15.3 mt-10 -52.48 -29.32 24.25 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.17 1.788 . . . . 0.0 109.878 170.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.76 -1.53 28.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.689 2.395 . . . . 0.0 113.145 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 mtt -120.98 -54.5 2.02 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 127.221 2.208 . . . . 0.0 109.671 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' ' 75' ' ' GLU . 2.0 pp -66.76 -50.71 61.85 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 125.257 1.423 . . . . 0.0 108.944 -168.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.39 -47.55 85.28 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -70.73 3.53 3.13 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 119.748 -1.845 . . . . 0.0 115.562 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -45.46 27.1 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 119.739 -1.851 . . . . 0.0 109.786 174.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -151.49 4.34 0.43 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 124.117 0.886 . . . . 0.0 113.369 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 p 61.31 7.89 1.89 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.549 2.34 . . . . 0.0 114.193 -163.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.92 -24.2 2.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.759 1.224 . . . . 0.0 113.117 -158.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 C-N-CA 126.022 1.729 . . . . 0.0 110.427 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.955 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -156.91 -65.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 118.827 1.314 . . . . 0.0 110.708 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -66.57 110.46 3.19 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -129.4 163.03 26.7 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.14 0.976 . . . . 0.0 108.719 -177.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.8 46.86 15.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.936 2.095 . . . . 0.0 108.595 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -66.24 -51.47 57.26 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.014 0.926 . . . . 0.0 110.702 -167.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.18 112.8 3.86 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 127.206 2.203 . . . . 0.0 105.799 -168.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.81 10.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 126.194 1.798 . . . . 0.0 107.685 -172.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt 72.59 -42.45 0.53 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 130.257 3.423 . . . . 0.0 110.91 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.45 17.87 18.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.177 1.791 . . . . 0.0 112.586 -171.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -46.62 -65.65 0.52 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 125.366 1.466 . . . . 0.0 113.362 -169.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -89.22 35.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.389 1.476 . . . . 0.0 111.155 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.3 -41.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.847 2.059 . . . . 0.0 109.088 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.0 -7.64 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -174.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -120.58 -27.14 5.18 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.172 1.389 . . . . 0.0 113.247 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -37.36 82.28 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 108.969 167.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.56 1.98 39.42 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.382 -0.824 . . . . 0.0 112.125 176.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.2 t -122.01 -28.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -71.13 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.571 1.532 . . . . 0.0 110.82 -168.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -53.17 -17.11 1.45 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.819 1.248 . . . . 0.0 113.978 167.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.57 -24.96 15.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.284 1.433 . . . . 0.0 111.472 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.97 -71.78 0.42 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.953 1.701 . . . . 0.0 107.073 156.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -42.21 -76.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.456 1.902 . . . . 0.0 114.647 -161.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -84.8 74.04 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 122.909 1.338 . . . . 0.0 107.679 -172.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -51.49 156.51 1.26 Allowed 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.932 2.493 . . . . 0.0 110.385 -178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.66 136.63 13.12 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -153.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -163.29 -177.92 5.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.179 2.192 . . . . 0.0 106.773 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.5 p -158.48 28.89 0.24 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.431 1.093 . . . . 0.0 111.762 166.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 30' ' ' LEU . 5.8 tppt? -103.82 -101.07 0.3 Allowed 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.013 -1.054 . . . . 0.0 110.133 -174.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.05 -30.62 31.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.387 1.475 . . . . 0.0 109.484 -169.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -63.48 -44.23 94.98 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 120.8 -1.187 . . . . 0.0 109.558 175.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.95 -39.81 75.26 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.686 1.194 . . . . 0.0 109.347 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 0.33 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.559 1.944 . . . . 0.0 115.245 169.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.6 m -132.0 -24.24 2.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 122.278 2.308 . . . . 0.0 109.134 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 58' ' ' LEU . 2.4 m -56.3 -40.09 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.466 165.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.587 HE21 HD23 ' A' ' 37' ' ' LEU . 1.7 pt20 -56.56 -8.36 0.54 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.918 2.087 . . . . 0.0 116.395 175.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.587 HD23 HE21 ' A' ' 36' ' ' GLN . 1.1 mm? -109.09 -26.54 10.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.896 1.278 . . . . 0.0 111.137 173.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -56.87 -35.88 69.42 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.699 1.59 . . . . 0.0 112.638 -173.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -59.11 -41.89 89.21 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.082 2.953 . . . . 0.0 109.926 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.27 -36.57 66.37 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.445 176.296 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.48 -22.2 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-O 116.946 -1.502 . . . . 0.0 112.148 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -17.42 29.98 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 123.219 2.736 . . . . 0.0 114.219 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -120.52 58.0 0.94 Allowed 'General case' 0 C--O 1.237 0.424 0 C-N-CA 127.853 2.461 . . . . 0.0 109.197 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.69 109.17 16.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.55 -68.38 0.19 Allowed 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 126.172 1.789 . . . . 0.0 110.172 -171.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -166.5 164.48 17.15 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.404 1.881 . . . . 0.0 108.403 -173.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -57.56 -28.08 63.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.421 1.489 . . . . 0.0 113.734 -171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.7 m -70.96 -69.67 0.35 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.665 1.12 . . . . 0.0 109.303 172.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.37 -24.79 66.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.181 1.393 . . . . 0.0 111.8 -164.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.32 -86.56 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 129.147 2.979 . . . . 0.0 111.626 163.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -56.1 -32.59 64.31 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 111.208 -171.258 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.67 -56.23 16.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.2 1.4 . . . . 0.0 109.242 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.93 -30.07 68.45 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.453 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.4 ttt -49.82 -41.08 44.0 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.928 1.24 . . . . 0.0 112.403 173.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.18 -39.74 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.4 t -70.47 -47.03 62.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -44.01 -49.61 8.6 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.498 1.045 . . . . 0.0 109.991 173.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD11 HG12 ' A' ' 35' ' ' VAL . 5.6 mt -67.8 -41.05 83.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.228 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -61.11 -31.0 70.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.535 1.061 . . . . 0.0 113.608 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.89 -37.43 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 119.281 0.946 . . . . 0.0 111.284 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -62.51 -29.35 70.49 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 126.274 1.83 . . . . 0.0 110.196 174.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.7 45.67 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 124.65 1.18 . . . . 0.0 109.829 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -54.24 -59.78 4.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.345 1.058 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.3 ptp -74.81 -21.32 59.36 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 124.814 1.245 . . . . 0.0 112.186 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -62.07 -40.86 97.25 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 172.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.35 68.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 128.042 2.734 . . . . 0.0 111.004 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.35 86.84 1.49 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 117.989 0.894 . . . . 0.0 112.001 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.97 -29.94 48.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.11 -0.994 . . . . 0.0 111.499 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -117.9 62.68 0.75 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.381 1.086 . . . . 0.0 109.108 -170.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -144.85 15.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.199 165.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.11 -75.36 0.44 Allowed 'General case' 0 C--N 1.339 0.143 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -66.01 -58.52 5.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.893 0.769 . . . . 0.0 111.764 -173.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.78 -5.79 2.23 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -177.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -19.58 13.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.311 -1.328 . . . . 0.0 111.934 172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.85 66.68 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 121.499 1.954 . . . . 0.0 109.968 174.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.99 -15.46 56.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.795 1.638 . . . . 0.0 110.455 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.1 ttm -107.81 -54.43 2.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.273 1.829 . . . . 0.0 109.502 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -51.77 14.32 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.905 1.23 . . . . 0.0 110.302 -170.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.12 -38.8 86.22 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.249 1.019 . . . . 0.0 109.319 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -18.36 62.34 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.036 -1.665 . . . . 0.0 112.572 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.23 73.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 120.781 -1.199 . . . . 0.0 109.196 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.31 3.57 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p 47.69 32.46 2.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.01 1.324 . . . . 0.0 113.107 -164.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -151.41 -59.25 0.17 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.256 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 130.243 3.417 . . . . 0.0 110.869 -172.693 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 CA-C-O 119.926 -0.375 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.39 142.63 11.39 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.475 1.91 . . . . 0.0 106.472 164.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -60.31 142.29 54.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 109.626 170.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -136.81 -9.09 1.84 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.951 1.3 . . . . 0.0 112.15 178.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.3 tpt -149.74 48.52 0.94 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 p -71.37 -38.81 71.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 120.365 -1.46 . . . . 0.0 111.978 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -160.13 104.41 1.49 Allowed 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.89 18.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 128.69 2.796 . . . . 0.0 106.546 -172.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 71.11 -31.06 0.22 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 129.726 3.21 . . . . 0.0 113.824 173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.6 m -131.48 60.62 1.66 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.938 1.295 . . . . 0.0 107.885 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.9 p -75.2 -92.81 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 p -94.04 35.16 1.18 Allowed 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.745 -1.222 . . . . 0.0 109.375 -171.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.67 -35.46 3.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 C-N-CA 124.538 1.135 . . . . 0.0 109.096 -175.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.255 35.2 m -61.79 -45.15 99.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 C-N-CA 123.201 0.601 . . . . 0.0 111.162 -167.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 58' ' ' LEU . 28.1 tp -74.42 -27.94 60.85 Favored 'General case' 0 N--CA 1.461 0.094 0 O-C-N 120.121 -1.612 . . . . 0.0 111.712 177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -68.32 -15.43 63.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.569 0.748 . . . . 0.0 111.231 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -101.28 -0.26 36.05 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.975 1.71 . . . . 0.0 111.971 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.18 -69.55 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 C-N-CA 123.94 0.896 . . . . 0.0 111.178 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -72.69 0.34 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -169.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -48.27 -33.55 8.92 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -41.74 -28.8 0.16 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 128.676 2.79 . . . . 0.0 113.192 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.06 -22.61 0.45 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.64 1.576 . . . . 0.0 113.427 161.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -77.55 -74.48 0.25 Allowed 'General case' 0 C--O 1.227 -0.089 0 O-C-N 120.849 -1.157 . . . . 0.0 110.639 -168.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.11 63.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 127.772 2.429 . . . . 0.0 107.568 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.51 120.84 6.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.518 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -51.88 75.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.485 3.114 . . . . 0.0 114.715 -158.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -137.28 53.96 1.86 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.05 2.14 . . . . 0.0 109.392 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -154.75 154.19 32.44 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.262 0.625 . . . . 0.0 110.122 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.24 -34.02 13.73 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.432 0.693 . . . . 0.0 110.882 153.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -53.17 47.94 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 111.061 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.406 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.38 -38.94 91.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.463 0.649 . . . . 0.0 110.086 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.05 73.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.184 1.393 . . . . 0.0 111.72 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.1 0.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.637 1.975 . . . . 0.0 113.458 166.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -28.3 1.62 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 120.98 1.718 . . . . 0.0 106.945 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.33 -35.4 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.452 167.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -53.39 -41.26 65.75 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.209 . . . . 0.0 111.737 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -77.06 -39.5 49.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 128.687 2.795 . . . . 0.0 110.299 -179.395 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -36.17 55.0 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.294 0.952 . . . . 0.0 110.619 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -66.47 -23.11 66.22 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 123.738 0.815 . . . . 0.0 112.417 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -47.5 11.95 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.483 -0.761 . . . . 0.0 109.929 169.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.87 -28.56 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 116.769 -1.586 . . . . 0.0 111.477 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.02 -37.91 10.01 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 116.124 -1.893 . . . . 0.0 113.385 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 54.1 mt -110.75 52.37 0.74 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 119.943 1.247 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.58 96.94 6.94 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.666 1.186 . . . . 0.0 109.694 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? 66.77 -58.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 128.352 2.661 . . . . 0.0 114.775 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.8 143.68 27.66 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 m -57.14 -20.49 26.31 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.83 0.741 . . . . 0.0 111.524 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -60.97 -81.12 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.261 1.424 . . . . 0.0 110.396 162.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.29 -21.12 64.97 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.967 1.707 . . . . 0.0 112.765 -166.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 129.408 3.083 . . . . 0.0 110.918 163.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -58.76 -30.42 67.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -167.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -48.27 -55.64 10.04 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.425 1.49 . . . . 0.0 107.596 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -68.07 -28.69 67.59 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.8 ttt -61.51 -20.88 63.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.552 2.341 . . . . 0.0 111.806 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.1 t -100.42 -21.41 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 119.604 1.093 . . . . 0.0 109.254 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB2' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -53.61 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 127.465 2.306 . . . . 0.0 112.884 -178.009 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -33.85 -64.92 0.2 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.124 2.569 . . . . 0.0 110.425 170.59 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 15' ' ' LEU . 4.0 mp -63.21 -25.52 68.37 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.029 -1.462 . . . . 0.0 113.763 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 62' ' ' LEU . 50.3 m -63.67 -49.76 71.91 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.508 1.504 . . . . 0.0 110.926 174.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.3 p -75.96 -39.59 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.259 0.624 . . . . 0.0 110.632 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -65.38 -32.3 73.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.973 1.709 . . . . 0.0 109.68 179.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -67.23 -20.62 65.7 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 120.644 1.565 . . . . 0.0 110.613 179.222 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -58.94 -52.65 64.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.2 ptp -71.32 -23.94 62.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -24.53 64.42 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.31 53.6 0.19 Allowed Glycine 0 CA--C 1.525 0.672 0 C-N-CA 126.391 1.948 . . . . 0.0 110.909 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 62' ' ' LEU . . . -78.73 172.42 13.75 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.828 1.314 . . . . 0.0 109.91 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG23 ' H ' ' A' ' 69' ' ' ASP . 5.9 m -80.63 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 157.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.684 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -132.15 98.04 4.31 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -176.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.463 HG21 HD21 ' A' ' 62' ' ' LEU . 7.3 tp -149.47 1.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 126.596 1.959 . . . . 0.0 111.13 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -66.27 -80.05 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 159.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -58.28 -52.53 65.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.988 1.315 . . . . 0.0 113.494 -162.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -70.04 -13.47 62.24 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 111.078 -178.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.71 -27.44 20.08 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 117.007 -1.473 . . . . 0.0 109.25 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.12 -21.4 22.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.36 1.891 . . . . 0.0 112.916 173.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -77.99 -61.73 1.9 Allowed 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 164.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.9 ttm -48.96 -45.84 42.61 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 117.648 -1.167 . . . . 0.0 112.628 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.04 -60.7 2.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 127.562 2.345 . . . . 0.0 109.6 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.41 -34.2 70.5 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 122.795 1.284 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -20.41 44.5 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 119.488 -2.008 . . . . 0.0 112.274 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -48.34 63.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 120.336 -1.478 . . . . 0.0 107.904 178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 2.9 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 -165.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.291 25.5 p 49.36 25.93 1.45 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.13 0.967 . . . . 0.0 111.523 -163.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -145.89 -82.06 0.14 Allowed 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 -172.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--O 1.248 1.011 0 C-N-CA 129.396 3.078 . . . . 0.0 110.288 -174.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.701 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.28 -44.0 0.2 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.355 176.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -67.83 -66.87 0.51 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.26 0.936 . . . . 0.0 110.075 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 4' ' ' LYS 0.256 0.1 OUTLIER 74.06 -167.96 0.1 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.245 1.418 . . . . 0.0 111.998 178.836 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.558 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 25.3 ttm -78.45 86.69 4.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.479 1.512 . . . . 0.0 108.405 -170.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -75.36 -61.07 2.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.993 0.902 . . . . 0.0 110.327 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -161.3 110.41 1.59 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.185 1.394 . . . . 0.0 107.321 -159.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.91 -1.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 125.022 1.329 . . . . 0.0 109.612 -171.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt 69.9 138.34 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 129.557 3.143 . . . . 0.0 109.026 -172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.0 m 43.46 55.82 4.66 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.478 0.711 . . . . 0.0 110.83 -169.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -66.24 -85.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 122.119 0.961 . . . . 0.0 110.545 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -89.92 36.64 0.86 Allowed 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.61 -1.306 . . . . 0.0 110.094 -172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.62 -25.83 2.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 O-C-N 120.814 -1.179 . . . . 0.0 110.359 -173.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.269 33.3 m -53.27 -41.98 45.42 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-N 118.045 0.384 . . . . 0.0 111.614 -177.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 38' ' ' HIS . 26.7 tp -72.26 -31.71 66.02 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.593 -1.317 . . . . 0.0 112.446 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.06 -9.88 58.79 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.63 1.572 . . . . 0.0 112.504 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -117.84 1.25 12.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.887 1.275 . . . . 0.0 111.635 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.02 -54.5 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 55' ' ' VAL . 1.2 mm? -86.75 -73.29 0.47 Allowed 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -28.45 36.05 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -172.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -51.59 -26.09 8.13 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.655 2.382 . . . . 0.0 111.45 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 -43.98 1.79 Allowed 'General case' 0 C--N 1.344 0.349 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 161.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -73.79 -25.09 59.96 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 121.313 1.869 . . . . 0.0 115.37 -164.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' A' ' 31' ' ' TRP . 58.4 t -123.6 -104.55 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.25 2.5 tt0 82.41 102.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 129.155 2.982 . . . . 0.0 110.871 175.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m 46.67 54.14 9.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.987 2.515 . . . . 0.0 112.62 169.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -91.91 -60.41 1.87 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.058 1.743 . . . . 0.0 110.99 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -161.69 157.22 24.11 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.563 1.545 . . . . 0.0 108.302 -175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -68.04 -8.28 36.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.143 166.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD23 HE21 ' A' ' 65' ' ' GLN . 44.2 tp -53.42 -48.31 68.84 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 120.787 1.63 . . . . 0.0 110.003 166.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -58.14 -51.5 69.45 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.39 64.32 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 125.979 1.712 . . . . 0.0 112.619 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.43 -16.76 6.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.003 1.721 . . . . 0.0 112.291 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -112.71 -17.28 12.61 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.895 1.278 . . . . 0.0 112.65 171.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 31' ' ' TRP . 46.5 t -64.24 -45.63 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.106 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.859 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.61 -56.09 3.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.313 1.415 . . . . 0.0 111.932 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -32.94 63.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.532 1.133 . . . . 0.0 112.2 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -56.96 -42.58 80.4 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.172 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.35 -44.54 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -76.94 -28.66 55.3 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.93 -173.121 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.48 -26.81 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 126.246 1.818 . . . . 0.0 110.731 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -30.68 67.66 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 122.374 2.352 . . . . 0.0 113.116 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.19 53.57 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.789 0.681 . . . . 0.0 109.592 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.81 -61.88 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -130.67 -73.02 0.55 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.496 1.119 . . . . 0.0 108.946 -171.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.93 157.73 45.79 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 129.603 3.161 . . . . 0.0 104.116 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.9 m -58.47 -18.9 32.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.737 1.215 . . . . 0.0 112.032 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -71.49 -84.47 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.686 1.194 . . . . 0.0 108.288 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.26 -15.47 62.53 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -164.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.156 1.783 . . . . 0.0 110.468 160.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.77 -35.11 65.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.889 0.476 . . . . 0.0 111.167 -171.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -48.31 -54.21 14.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.015 0.926 . . . . 0.0 109.804 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -69.23 -30.97 69.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.347 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.414 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 1.9 ttt -52.36 -33.74 44.38 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.896 1.225 . . . . 0.0 112.422 171.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 19' ' ' LEU . 73.0 t -75.78 -47.67 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.7 t -59.8 -44.74 93.82 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -170.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -49.7 38.01 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.26 0.624 . . . . 0.0 110.993 173.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HG ' HD21 ' A' ' 15' ' ' LEU . 1.1 mt -69.76 -31.33 69.23 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.328 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -63.52 -41.34 98.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.288 1.035 . . . . 0.0 112.169 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.36 -37.54 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 121.702 -0.624 . . . . 0.0 110.798 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -64.49 -29.82 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.349 -1.469 . . . . 0.0 110.263 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.73 -33.5 23.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 110.294 177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -53.58 -66.14 0.44 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.77 1.228 . . . . 0.0 110.132 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 17.1 ptp -63.68 -26.82 68.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.749 1.22 . . . . 0.0 112.235 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.489 HE21 HD23 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.9 -13.33 59.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 122.969 0.508 . . . . 0.0 111.207 175.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.6 41.52 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 C-N-CA 126.252 1.882 . . . . 0.0 110.958 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.59 55.74 1.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 119.183 1.491 . . . . 0.0 109.973 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 p -53.66 -34.69 24.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.727 -0.608 . . . . 0.0 111.648 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -97.64 77.66 2.58 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' ILE . 6.1 tp -146.13 30.22 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.752 156.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -108.61 -72.44 0.72 Allowed 'General case' 0 N--CA 1.462 0.141 0 O-C-N 121.229 -0.919 . . . . 0.0 109.579 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.96 -51.82 62.57 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.931 -1.106 . . . . 0.0 112.99 -173.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -69.58 -0.18 6.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.518 1.127 . . . . 0.0 113.125 172.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 t -109.77 -11.08 14.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 115.563 -2.161 . . . . 0.0 110.608 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -29.46 7.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 121.361 1.891 . . . . 0.0 111.805 -171.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -61.32 -3.77 1.02 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.23 -1.27 10.31 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.087 1.355 . . . . 0.0 110.831 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 -65.71 1.03 Allowed 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.026 1.331 . . . . 0.0 108.422 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -68.96 -47.46 65.57 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 125.267 1.427 . . . . 0.0 109.396 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -75.39 -12.59 60.29 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.09 -1.631 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.44 -51.72 58.27 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.922 0.889 . . . . 0.0 109.358 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.63 10.46 0.1 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.119 1.368 . . . . 0.0 111.197 -170.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.287 43.9 p 61.33 13.29 4.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.047 1.739 . . . . 0.0 114.326 -175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 -24.3 0.64 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.873 0.869 . . . . 0.0 113.232 -166.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.245 0.86 0 C-N-CA 127.973 2.509 . . . . 0.0 111.98 -161.011 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.621 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -49.85 -38.07 33.55 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.873 1.269 . . . . 0.0 111.408 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -123.33 157.95 32.11 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 158.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.04 -29.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.779 1.632 . . . . 0.0 112.258 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.38 70.2 1.43 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -76.9 104.67 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 120.638 -1.289 . . . . 0.0 107.678 171.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.378 0.5 OUTLIER 47.21 115.1 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.043 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 -173.098 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.72 26.57 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.524 1.93 . . . . 0.0 108.273 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 76.91 -60.07 0.47 Allowed 'General case' 0 C--N 1.343 0.3 0 C-N-CA 128.961 2.904 . . . . 0.0 110.324 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' HB2' HG23 ' A' ' 14' ' ' VAL . 25.3 p -80.53 -2.79 47.6 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.39 1.076 . . . . 0.0 113.531 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 12' ' ' SER . 10.2 t -24.94 -74.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.871 2.868 . . . . 0.0 112.671 -171.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.455 ' H ' HG23 ' A' ' 11' ' ' THR . 36.0 p -119.69 37.42 4.19 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.833 0.853 . . . . 0.0 110.265 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 10' ' ' CYS . 2.0 m -94.53 -50.52 11.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 165.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 10' ' ' CYS . 24.8 t -51.71 -66.9 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 C-N-CA 126.256 1.823 . . . . 0.0 110.551 -175.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 tp -69.57 -28.51 66.04 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.919 -1.112 . . . . 0.0 110.95 -168.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.05 -7.0 46.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 -0.08 10.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.723 2.009 . . . . 0.0 111.82 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.74 -29.99 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 O-C-N 120.162 -1.586 . . . . 0.0 112.175 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.699 HD13 HH11 ' A' ' 23' ' ' ARG . 1.0 OUTLIER -108.0 -72.76 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.451 1.023 . . . . 0.0 108.685 -176.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -13.92 6.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -35.11 -38.39 0.09 Allowed 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 128.305 2.642 . . . . 0.0 112.318 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -26.4 0.9 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.658 0.783 . . . . 0.0 112.114 157.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.699 HH11 HD13 ' A' ' 19' ' ' LEU . 92.5 mtt180 -71.72 -44.96 63.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -155.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 25' ' ' GLU . 8.2 p -121.19 -175.15 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.631 1.573 . . . . 0.0 108.722 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.633 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER 95.63 111.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 1 C-N-CA 132.533 4.333 . . . . 0.0 109.693 -177.04 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -138.84 -76.03 0.37 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.29 1.036 . . . . 0.0 110.411 162.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -149.16 15.92 0.93 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.969 1.259 . . . . 0.0 112.939 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -108.85 153.28 23.74 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 119.874 1.215 . . . . 0.0 112.134 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -90.63 -8.76 49.21 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.656 1.183 . . . . 0.0 110.79 161.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -52.19 -49.29 64.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 120.747 1.612 . . . . 0.0 110.233 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.458 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -63.29 -45.25 92.26 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.999 0.52 . . . . 0.0 112.173 174.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.88 66.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.335 1.054 . . . . 0.0 111.06 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.06 -20.35 65.82 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 117.959 -1.02 . . . . 0.0 112.969 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -92.98 -27.15 17.2 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 120.163 1.347 . . . . 0.0 111.98 163.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.265 0.4 OUTLIER -60.22 -44.81 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 119.71 1.141 . . . . 0.0 109.297 178.316 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.97 -52.46 33.41 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.358 1.436 . . . . 0.0 114.514 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.41 -17.5 64.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.659 1.584 . . . . 0.0 113.033 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -56.85 -29.69 63.11 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 121.781 2.082 . . . . 0.0 110.69 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -72.35 -5.78 38.74 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.971 0.908 . . . . 0.0 112.841 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.41 -36.9 5.66 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.345 -1.472 . . . . 0.0 112.982 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.43 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 19.7 mm -53.41 -14.67 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 110.859 171.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -35.0 62.71 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 122.299 2.318 . . . . 0.0 110.479 170.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.8 58.33 0.61 Allowed 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 50' ' ' ALA . . . -83.54 -48.71 9.97 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.354 -1.338 . . . . 0.0 110.32 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -151.58 -54.13 0.13 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.914 0.779 . . . . 0.0 112.489 -173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -155.1 160.02 40.66 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 129.194 2.998 . . . . 0.0 104.08 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.4 m -56.92 -34.31 67.82 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.052 1.751 . . . . 0.0 112.659 -174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -63.47 -74.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -55.38 -23.56 25.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.801 1.64 . . . . 0.0 113.032 -172.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -64.89 -81.57 0.03 OUTLIER 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 126.773 2.029 . . . . 0.0 110.944 168.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -37.62 35.26 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 123.123 0.569 . . . . 0.0 110.914 -173.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 64.4 mt-10 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 126.717 2.007 . . . . 0.0 112.609 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -58.47 -35.4 72.12 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 120.587 1.539 . . . . 0.0 110.656 168.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.567 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.15 -29.6 61.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.796 1.18 . . . . 0.0 109.915 -172.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.1 m -76.93 -22.05 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 124.062 0.945 . . . . 0.0 111.497 170.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -83.41 -50.64 8.12 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -42.2 -42.99 3.2 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 119.428 1.013 . . . . 0.0 111.925 174.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD13 HD12 ' A' ' 57' ' ' LEU . 2.1 mp -79.83 -23.45 42.02 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -61.46 -55.12 34.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.552 1.069 . . . . 0.0 111.893 165.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.57 -42.31 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.825 0.821 . . . . 0.0 109.54 -171.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -57.62 -27.5 62.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.746 1.218 . . . . 0.0 111.587 177.044 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -29.12 65.66 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 120.391 1.451 . . . . 0.0 109.831 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -49.55 -68.02 0.21 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.478 1.911 . . . . 0.0 109.454 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 ptp -65.92 -28.11 68.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.105 0.962 . . . . 0.0 112.014 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -21.84 65.62 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 0.677 . . . . 0.0 111.55 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.66 11.65 0.29 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-O 116.943 -2.032 . . . . 0.0 114.948 -173.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.26 97.09 10.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 121.427 2.614 . . . . 0.0 110.759 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -38.41 -56.37 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.339 1.855 . . . . 0.0 109.904 164.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -148.51 106.3 3.69 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.12 -24.41 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 115.865 -2.017 . . . . 0.0 110.125 155.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -44.92 -64.01 0.8 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.74 1.609 . . . . 0.0 109.932 -175.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.02 -49.75 68.96 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.084 0.553 . . . . 0.0 111.138 -175.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.17 -21.13 30.73 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.955 1.702 . . . . 0.0 112.036 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.97 -35.02 9.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 116.43 -1.747 . . . . 0.0 107.321 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -57.54 -33.44 68.1 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 121.642 2.019 . . . . 0.0 109.877 168.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.0 -1.32 5.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.861 1.664 . . . . 0.0 111.605 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.3 mtp -115.91 -41.47 3.19 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.762 2.025 . . . . 0.0 110.321 164.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.72 -70.61 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.219 1.827 . . . . 0.0 109.21 -166.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -34.76 49.17 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 126.041 1.736 . . . . 0.0 108.325 172.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -81.44 -16.44 52.05 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.48 -49.47 40.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.494 1.497 . . . . 0.0 108.329 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.77 0.89 0.23 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.6 -159.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 p 53.83 22.5 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.565 1.075 . . . . 0.0 113.564 -177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -152.35 -45.7 0.1 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.117 1.767 . . . . 0.0 108.602 -172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.48 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.556 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 74.17 142.21 0.07 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.642 2.377 . . . . 0.0 109.325 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m 42.67 53.05 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.072 1.749 . . . . 0.0 112.61 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -61.41 -9.88 6.35 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.339 -0.851 . . . . 0.0 113.09 177.209 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.2 ttt -132.05 65.97 1.56 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -72.35 80.02 1.02 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.879 2.471 . . . . 0.0 110.024 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.324 0.4 OUTLIER 46.16 104.37 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 128.519 2.728 . . . . 0.0 115.032 -175.219 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 t -146.2 5.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 127.644 2.378 . . . . 0.0 108.984 -158.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 71.26 155.69 0.15 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 129.455 3.102 . . . . 0.0 109.118 -173.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER 49.14 -17.68 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 130.112 3.365 . . . . 0.0 118.932 -174.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -42.35 -69.12 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 C-N-CA 127.091 2.156 . . . . 0.0 111.825 -166.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -98.2 36.38 1.6 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.345 -0.847 . . . . 0.0 111.41 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.15 -41.04 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 123.944 0.897 . . . . 0.0 110.714 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.65 -46.98 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.923 0.783 . . . . 0.0 113.048 -169.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 2.9 tt -63.92 -42.42 97.4 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.416 0.686 . . . . 0.0 109.297 175.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.22 -12.69 54.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.431 -174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -103.72 1.69 32.1 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.497 1.519 . . . . 0.0 112.106 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -120.64 -85.35 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 125.031 1.333 . . . . 0.0 111.615 -173.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -60.4 2.91 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.474 -1.392 . . . . 0.0 110.128 -168.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' HG13 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -47.93 -35.45 10.68 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 174.142 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -36.58 29.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.854 1.261 . . . . 0.0 111.242 -175.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.52 -6.88 4.68 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.82 -66.47 0.71 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.972 1.26 . . . . 0.0 111.433 -163.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.779 HG22 ' H ' ' A' ' 25' ' ' GLU 0.299 4.1 p -84.98 -160.29 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 167.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.779 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -142.81 177.14 8.54 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.311 1.845 . . . . 0.0 107.461 -176.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -78.46 -8.08 58.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 25' ' ' GLU . 3.3 t -86.16 172.54 10.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.517 1.053 . . . . 0.0 110.744 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t 64.7 135.55 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.843 2.857 . . . . 0.0 112.87 -168.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -82.18 -18.49 42.55 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-O 116.933 -1.508 . . . . 0.0 112.299 167.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.1 tp -57.15 -47.36 81.37 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 120.934 1.697 . . . . 0.0 109.471 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -54.39 -56.18 21.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.213 1.005 . . . . 0.0 111.456 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.08 73.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 127.87 2.468 . . . . 0.0 112.459 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -57.28 -28.72 63.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.542 1.137 . . . . 0.0 110.755 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -32.09 17.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.744 1.618 . . . . 0.0 112.14 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.49 -41.08 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.102 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.92 -32.53 72.02 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.4 1.455 . . . . 0.0 112.958 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -46.99 80.2 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.913 0.885 . . . . 0.0 111.097 169.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.33 -33.71 21.25 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.495 1.043 . . . . 0.0 110.839 176.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -66.38 -19.64 65.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.562 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -38.12 10.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 126.534 1.933 . . . . 0.0 111.763 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.6 mm -62.58 -20.4 24.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 125.288 1.435 . . . . 0.0 110.295 -169.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.469 HD21 ' SD ' ' A' ' 54' ' ' MET . 23.6 mt -54.27 -35.65 62.78 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.452 2.301 . . . . 0.0 110.717 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 48.2 mt -113.33 56.48 0.69 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 167.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.76 9.63 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -140.2 -75.41 0.34 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -137.8 161.98 35.16 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.175 1.79 . . . . 0.0 106.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -55.2 -34.92 64.32 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.753 1.615 . . . . 0.0 111.461 -170.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -60.86 -76.8 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.591 0.557 . . . . 0.0 110.043 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.82 -25.61 65.12 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.819 0.447 . . . . 0.0 111.808 -166.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -56.44 -83.46 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.779 2.032 . . . . 0.0 111.321 170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -36.9 42.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.845 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.5 -54.17 47.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.822 0.849 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -55.99 -35.07 66.37 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.709 -1.244 . . . . 0.0 110.957 172.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.628 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -69.78 -21.73 63.39 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.53 0.605 . . . . 0.0 110.145 -170.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.56 -41.7 29.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 124.862 1.265 . . . . 0.0 107.646 170.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -47.39 84.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.97 0.908 . . . . 0.0 111.89 -168.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -46.93 -50.54 18.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.362 0.665 . . . . 0.0 112.4 172.23 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -70.07 -23.91 63.15 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 116.636 -1.649 . . . . 0.0 112.6 -176.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.0 p -58.94 -50.61 73.4 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 121.085 1.766 . . . . 0.0 111.056 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.26 -30.8 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.073 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -63.35 -32.86 74.39 Favored 'General case' 0 C--O 1.225 -0.195 0 O-C-N 120.836 -1.165 . . . . 0.0 110.167 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -30.52 65.84 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 120.456 1.48 . . . . 0.0 109.292 177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -52.88 -63.13 1.25 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.661 1.185 . . . . 0.0 109.288 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.34 -25.4 65.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.173 0.589 . . . . 0.0 112.553 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -11.83 58.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.268 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.48 20.74 4.2 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.848 2.166 . . . . 0.0 113.228 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.22 50.27 1.69 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.42 1.11 . . . . 0.0 108.717 -175.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -50.04 -27.08 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.854 1.262 . . . . 0.0 112.714 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.38 -52.41 65.75 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.272 1.829 . . . . 0.0 110.375 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 3.7 tp -79.47 23.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 125.759 1.623 . . . . 0.0 110.346 -166.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -79.55 -70.51 0.5 Allowed 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 160.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.35 -55.93 11.78 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.436 -1.415 . . . . 0.0 114.663 -163.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.758 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -61.55 0.09 0.36 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.159 1.384 . . . . 0.0 113.184 171.193 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -100.97 -46.46 5.09 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 116.114 -1.898 . . . . 0.0 106.211 170.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.12 -25.14 12.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.547 1.976 . . . . 0.0 111.627 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -70.05 -70.14 0.31 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.602 0.761 . . . . 0.0 110.145 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.1 mmm -48.95 -40.39 30.11 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.017 1.327 . . . . 0.0 114.187 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.48 -51.0 21.99 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 127.036 2.134 . . . . 0.0 109.041 -173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.85 78.86 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 109.744 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -11.42 59.93 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 119.273 -2.142 . . . . 0.0 111.505 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -51.86 29.43 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.19 6.12 0.08 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.318 1.047 . . . . 0.0 112.396 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.7 p 57.41 30.34 18.43 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.469 1.508 . . . . 0.0 111.049 -173.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -161.0 -26.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -166.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.923 2.089 . . . . 0.0 112.146 -179.263 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.4 t60 58.2 -87.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.652 1.581 . . . . 0.0 110.597 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -150.18 102.98 3.13 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -42.04 62.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 112.267 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.37 91.26 8.06 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -77.37 78.25 3.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.397 0.279 . . . . 0.0 110.637 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 13.1 t0 65.09 151.55 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 127.744 2.418 . . . . 0.0 112.11 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' H ' ' A' ' 9' ' ' LYS . 2.4 t -154.4 -4.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.93 2.092 . . . . 0.0 110.015 -156.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 5.4 mmtt 63.65 -20.66 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.49 3.116 . . . . 0.0 114.436 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.74 9.87 7.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.277 0.944 . . . . 0.0 112.453 -157.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 t -53.25 -50.74 64.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.741 0.417 . . . . 0.0 111.258 -169.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.9 m -105.54 39.52 1.73 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.666 0.786 . . . . 0.0 110.213 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.49 -55.17 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 152.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' LEU 0.35 2.4 m -57.85 -69.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 120.964 1.711 . . . . 0.0 112.979 -166.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 23.6 tp -65.33 -32.7 74.49 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 HE21 ' A' ' 20' ' ' GLN . 0.8 OUTLIER -53.68 -21.49 7.1 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.636 1.974 . . . . 0.0 113.423 174.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -117.59 1.69 12.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.154 1.782 . . . . 0.0 112.943 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.92 -79.12 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.612 1.096 . . . . 0.0 108.689 168.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -55.1 3.86 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 123.358 1.551 . . . . 0.0 110.078 -158.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.472 HE21 HD22 ' A' ' 16' ' ' LEU . 6.5 pm0 -71.11 -3.47 20.09 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 128.242 2.617 . . . . 0.0 115.659 172.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -41.83 -52.87 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 164.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.16 -26.65 0.71 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.486 -1.245 . . . . 0.0 113.467 -174.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -68.48 -80.55 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 120.314 1.415 . . . . 0.0 109.353 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 31' ' ' TRP . 73.1 t -68.59 134.93 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.94 2.496 . . . . 0.0 105.209 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.09 153.21 31.15 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.623 -1.626 . . . . 0.0 112.441 -170.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 -171.16 0.18 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.481 1.912 . . . . 0.0 113.415 166.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -77.37 -28.49 52.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.247 -0.908 . . . . 0.0 112.973 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 24.39 73.36 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.759 2.824 . . . . 0.0 114.475 161.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -57.37 -19.26 21.88 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.374 -1.454 . . . . 0.0 113.802 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.9 tp -47.57 -60.88 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.116 1.766 . . . . 0.0 110.808 163.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CD1' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -62.45 -45.61 92.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.947 0.899 . . . . 0.0 110.553 178.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.9 59.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.8 0.84 . . . . 0.0 112.173 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.23 -34.31 56.55 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.791 2.037 . . . . 0.0 113.278 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.47 -29.65 21.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.075 0.55 . . . . 0.0 110.338 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.99 -42.73 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.297 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.91 -25.8 61.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.272 1.396 . . . . 0.0 113.342 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -26.89 22.97 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.598 1.159 . . . . 0.0 111.483 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -32.57 49.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.357 1.435 . . . . 0.0 110.635 171.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.17 -21.33 64.9 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.496 1.518 . . . . 0.0 113.766 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -53.16 6.63 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 169.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.7 mp -51.44 -26.89 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-O 115.731 -2.081 . . . . 0.0 114.028 -171.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.48 17.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 123.412 2.824 . . . . 0.0 113.058 -176.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.01 51.96 0.93 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.56 3.21 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -133.02 -59.45 0.88 Allowed 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.646 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -155.63 165.54 36.25 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.153 -2.165 . . . . 0.0 105.153 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -62.37 -20.7 64.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.091 1.356 . . . . 0.0 113.758 -167.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.1 m -79.72 -67.9 0.72 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -51.27 -31.31 20.72 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.396 2.279 . . . . 0.0 113.187 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -66.52 -72.83 0.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 130.042 3.337 . . . . 0.0 110.826 172.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -35.05 62.3 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.877 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 20.7 mt-10 -65.87 -35.81 81.69 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.399 2.279 . . . . 0.0 111.08 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.31 -40.46 86.3 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 118.948 -2.345 . . . . 0.0 109.574 163.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.698 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -74.17 -23.74 59.29 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.329 1.452 . . . . 0.0 111.435 -166.005 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 3.0 m -76.18 -43.3 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 126.552 1.941 . . . . 0.0 107.657 171.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.1 p -58.76 -47.25 85.33 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -171.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.9 -40.88 31.59 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.97 1.308 . . . . 0.0 112.131 176.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.59 -38.22 59.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.627 -0.829 . . . . 0.0 113.041 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.47 -25.19 67.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.047 0.939 . . . . 0.0 113.494 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 p -93.63 -2.21 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 126.156 1.782 . . . . 0.0 111.788 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.13 -26.69 11.49 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.135 1.774 . . . . 0.0 110.926 -177.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.7 -30.77 34.02 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.534 1.061 . . . . 0.0 110.837 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -60.73 2.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.113 1.365 . . . . 0.0 110.318 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 ptp -73.23 -23.74 60.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.485 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -31.82 72.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 118.673 0.669 . . . . 0.0 109.243 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.64 41.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.56 1.076 . . . . 0.0 113.221 -173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.11 126.1 46.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.163 1.482 . . . . 0.0 108.192 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.52 -52.75 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 120.157 1.344 . . . . 0.0 109.134 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.53 96.77 3.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -170.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -134.13 -15.37 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 123.769 0.828 . . . . 0.0 112.217 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -59.74 -58.11 9.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.31 59.31 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.53 0.25 20.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.497 1.044 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.3 t -124.42 -17.16 6.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.496 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -26.6 12.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.743 1.611 . . . . 0.0 113.228 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.03 -18.95 61.92 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.039 -1.038 . . . . 0.0 110.778 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 tpt -91.61 -8.79 46.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.636 1.574 . . . . 0.0 110.772 172.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.92 -73.76 0.52 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 122.541 1.162 . . . . 0.0 109.884 -156.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.97 -37.2 78.92 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.81 2.444 . . . . 0.0 109.266 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -0.21 57.34 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 119.893 -1.754 . . . . 0.0 112.159 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -69.79 -57.04 5.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.367 -1.458 . . . . 0.0 108.846 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.7 13.32 0.34 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.524 1.13 . . . . 0.0 111.463 -173.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.25 15.4 p 53.58 42.91 31.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 0.0 110.492 -166.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -34.29 0.1 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -163.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.507 0.723 . . . . 0.0 111.581 178.217 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.5 0 CA-C-O 118.505 -1.164 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 98.69 0.04 OUTLIER 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.479 1.512 . . . . 0.0 109.98 -175.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 66.21 149.26 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.625 1.17 . . . . 0.0 110.752 -171.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -126.12 -14.74 5.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.627 -1.296 . . . . 0.0 113.863 -173.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.528 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -105.95 20.06 19.55 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.93 2.092 . . . . 0.0 109.274 174.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p 47.64 -161.17 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.077 1.751 . . . . 0.0 112.853 -168.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.75 130.33 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 128.938 2.895 . . . . 0.0 107.479 170.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -137.72 0.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.613 1.565 . . . . 0.0 109.824 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.313 4.6 mmmm 78.1 -60.14 0.42 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -88.76 84.97 6.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.662 0.785 . . . . 0.0 112.953 163.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -71.49 0.75 Allowed 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.109 0.563 . . . . 0.0 109.619 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -95.42 36.01 1.28 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.33 -1.481 . . . . 0.0 110.43 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.25 -38.43 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 120.75 -1.219 . . . . 0.0 109.976 -174.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 m -47.07 -70.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 126.526 1.93 . . . . 0.0 109.173 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 19' ' ' LEU . 15.6 tp -57.15 -33.25 67.21 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.947 0.899 . . . . 0.0 112.108 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -56.76 -26.24 57.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.974 1.709 . . . . 0.0 111.919 -178.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -110.07 3.69 20.55 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 130.817 3.647 . . . . 0.0 111.059 -174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 14' ' ' VAL . 81.2 t -105.76 -86.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.944 1.298 . . . . 0.0 109.816 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.908 HD11 HG13 ' A' ' 55' ' ' VAL . 4.1 mt -83.41 -61.6 1.8 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -173.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -62.78 -4.21 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -47.54 -26.91 1.57 Allowed 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 126.916 2.086 . . . . 0.0 114.897 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.29 -28.94 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.869 1.667 . . . . 0.0 108.786 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 125.419 1.488 . . . . 0.0 112.694 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.91 HG13 HE21 ' A' ' 65' ' ' GLN . 40.4 t -100.73 126.54 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 175.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -55.81 -30.16 60.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.084 1.354 . . . . 0.0 112.233 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t 91.82 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.817 2.447 . . . . 0.0 110.078 166.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -130.98 170.11 14.91 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.785 0.834 . . . . 0.0 110.547 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m 44.4 -167.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.77 1.628 . . . . 0.0 112.729 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -108.14 -6.26 16.53 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.622 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -47.77 -60.97 2.19 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 121.005 1.73 . . . . 0.0 108.848 172.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.868 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -70.5 -40.12 73.73 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 120.448 -1.407 . . . . 0.0 110.857 -177.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 29' ' ' LYS . . . -58.64 -24.14 60.54 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.243 -178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -58.27 -31.6 67.6 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.829 2.052 . . . . 0.0 111.174 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.3 m -85.53 -35.47 21.09 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 118.82 -0.609 . . . . 0.0 111.386 168.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 119.405 1.002 . . . . 0.0 111.609 -173.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 5.4 pt20 -53.62 -44.98 69.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.342 1.057 . . . . 0.0 109.685 173.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -73.1 -38.37 66.39 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 117.412 -1.28 . . . . 0.0 108.543 -176.386 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -53.1 -37.67 61.92 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 121.195 1.816 . . . . 0.0 111.267 177.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.9 -31.64 71.96 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.045 0.938 . . . . 0.0 110.861 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.566 ' O ' ' HE2' ' A' ' 4' ' ' LYS . 3.2 m-20 -87.53 -36.98 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.58 1.152 . . . . 0.0 110.389 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 1.2 mp -52.45 -30.03 13.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 CA-C-N 120.268 1.395 . . . . 0.0 111.063 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -28.69 15.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 121.081 1.764 . . . . 0.0 113.922 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' SD ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -107.19 49.54 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.506 0.504 . . . . 0.0 111.743 171.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.79 -45.0 10.71 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.518 -0.739 . . . . 0.0 110.888 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -147.14 -62.57 0.28 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.04 153.32 42.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 127.4 2.28 . . . . 0.0 106.475 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 m -61.01 -23.69 65.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.706 2.503 . . . . 0.0 112.213 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.8 m -67.74 -86.55 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 167.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.31 -35.18 1.4 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.328 2.251 . . . . 0.0 115.187 -173.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 41' ' ' ILE . . . -58.4 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.472 1.509 . . . . 0.0 112.188 167.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -36.53 32.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.545 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 1.7 mt-10 -48.54 -58.22 5.01 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -72.94 -23.33 60.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.265 0.626 . . . . 0.0 112.397 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.558 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -64.53 -23.3 67.23 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.47 -1.394 . . . . 0.0 111.272 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.908 HG13 HD11 ' A' ' 19' ' ' LEU . 54.6 t -83.49 -35.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.078 0 CA-C-O 116.987 -1.482 . . . . 0.0 108.14 171.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -55.7 -52.51 63.64 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.573 1.533 . . . . 0.0 112.299 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -43.3 -49.64 6.75 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.255 0.622 . . . . 0.0 110.107 174.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -70.68 -39.1 73.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.439 -178.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -26.81 54.74 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.136 2.174 . . . . 0.0 112.111 174.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -107.43 -2.59 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.806 1.242 . . . . 0.0 110.84 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.868 HD11 ' HA ' ' A' ' 31' ' ' TRP . 2.9 tm? -104.86 -31.27 9.36 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 120.16 -1.587 . . . . 0.0 110.03 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 70' ' ' ILE . 1.6 pt? -61.42 -20.26 62.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.7 m -49.74 -70.83 0.08 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 129.795 3.238 . . . . 0.0 112.12 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.422 ' HG3' HD21 ' A' ' 30' ' ' LEU . 12.4 ptm -66.03 -30.05 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.008 0.523 . . . . 0.0 111.158 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.91 HE21 HG13 ' A' ' 24' ' ' VAL . 7.9 mm100 -60.53 -27.78 67.9 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.676 173.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.34 54.34 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.68 1.133 . . . . 0.0 112.033 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . . . -139.63 105.08 5.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 123.661 1.696 . . . . 0.0 111.166 171.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.345 7.6 p -82.46 -11.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 120.882 -1.136 . . . . 0.0 111.152 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' C ' HD21 ' A' ' 73' ' ' LEU . 1.4 m-20 -137.08 82.03 1.91 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.333 1.853 . . . . 0.0 106.56 -168.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 62' ' ' LEU . 7.0 tp -160.19 17.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 123.509 0.723 . . . . 0.0 111.21 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -88.79 -62.29 1.52 Allowed 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -45.86 15.9 Favored 'General case' 0 C--O 1.219 -0.531 0 O-C-N 121.762 -0.586 . . . . 0.0 111.469 -168.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -70.03 -2.86 13.93 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.904 -1.747 . . . . 0.0 112.549 173.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.93 -26.09 9.94 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-O 117.028 -1.463 . . . . 0.0 110.628 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -34.55 20.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 120.19 1.359 . . . . 0.0 108.797 175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.74 -7.86 48.02 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.311 1.844 . . . . 0.0 113.891 -176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 mtt -121.13 1.82 10.34 Favored 'General case' 0 N--CA 1.469 0.495 1 C-N-CA 134.244 5.018 . . . . 0.0 113.344 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -132.72 -73.87 0.5 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.97 -53.22 60.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 128.129 2.572 . . . . 0.0 108.391 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -76.24 -8.78 57.81 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 119.011 -2.306 . . . . 0.0 113.771 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -64.59 -60.08 3.54 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 120.081 1.309 . . . . 0.0 108.25 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.25 11.14 0.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.309 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.303 1.8 p 62.53 20.21 11.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.065 1.346 . . . . 0.0 112.842 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 84' ' ' LEU . 10.1 tp -156.89 -61.5 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.105 0.562 . . . . 0.0 110.067 -163.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 11.0 tm0? . . . . . 0 C--O 1.256 1.412 0 C-N-CA 128.045 2.538 . . . . 0.0 111.05 176.99 . . . . . . . . 1 1 . 1 stop_ save_