data_2n8h_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 2n8h _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.618 0.247 . . . . 74.41 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.5 t -126.78 154.79 43.78 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.894 -0.593 . . . . 71.51 110.639 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.06 129.12 9.3 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.922 -0.581 . . . . 75.32 112.807 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 122.71 0.404 . . . . 52.33 111.233 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.563 0 CA-C-O 120.222 -0.21 . . . . 54.0 112.632 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.41 153.03 17.89 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.699 0.4 . . . . 75.51 111.001 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -80.6 122.63 27.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.587 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -110.82 133.17 53.58 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.851 -0.613 . . . . 73.21 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.81 -71.13 0.43 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.922 -0.581 . . . . 70.33 112.74 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.13 -15.19 21.06 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.822 0.304 . . . . 74.14 111.822 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 14' ' ' ARG . 4.0 tp -93.45 164.93 13.0 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.255 0.347 . . . . 73.2 111.066 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 98.8 mtt180 -78.56 -176.33 4.77 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.016 -0.538 . . . . 73.32 111.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt 69.53 145.06 0.05 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.197 0.999 . . . . 74.35 112.069 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -108.74 169.07 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.438 -0.801 . . . . 72.33 110.994 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.414 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -82.55 138.37 34.29 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.99 -0.55 . . . . 64.0 111.628 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.9 -34.72 79.08 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.865 -0.607 . . . . 71.45 112.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -92.86 -28.07 16.74 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.104 -0.498 . . . . 73.13 111.227 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 96.15 38.03 4.7 Favored Glycine 0 C--N 1.34 0.773 0 O-C-N 123.559 0.537 . . . . 74.21 113.278 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -140.37 114.99 9.46 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.038 0.447 . . . . 74.13 111.29 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 m -115.01 120.35 39.56 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.168 -0.924 . . . . 71.24 109.885 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.554 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.32 122.08 26.46 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.194 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 t -88.05 -8.24 55.84 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.518 -0.764 . . . . 72.11 112.083 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.21 -20.04 57.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.449 0.3 . . . . 75.31 111.244 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.5 -1.8 1.84 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.813 -0.63 . . . . 62.53 111.223 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.36 51.88 7.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.787 0.835 . . . . 72.25 111.534 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -140.3 162.15 35.97 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.481 -0.782 . . . . 74.43 111.504 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 126.18 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.872 -0.604 . . . . 73.51 110.868 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 88.1 mttt -133.01 158.24 43.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.031 -0.531 . . . . 71.31 111.293 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.01 143.04 27.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.982 -0.554 . . . . 62.43 110.766 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mttm . . . . . 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.117 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 120.59 0.234 . . . . 74.41 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -107.57 147.35 30.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.016 -0.538 . . . . 71.51 110.257 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 119.45 5.79 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 116.144 -0.48 . . . . 75.32 113.074 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 122.721 0.408 . . . . 52.33 111.096 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 CA-C-O 120.241 -0.199 . . . . 54.0 112.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.89 153.13 19.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.495 0.318 . . . . 75.51 111.067 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.553 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.27 122.65 29.75 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.026 -0.534 . . . . 75.12 110.812 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -107.43 129.03 54.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.892 -0.595 . . . . 73.21 110.865 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.53 -53.24 0.65 Allowed Glycine 0 C--N 1.337 0.618 0 O-C-N 123.596 0.56 . . . . 70.33 112.883 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.14 -20.0 18.28 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.02 0.378 . . . . 74.14 112.02 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 9' ' ' THR . 5.9 mp -92.01 155.77 17.88 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.193 0.308 . . . . 73.2 111.402 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -88.44 -3.73 58.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.779 -0.646 . . . . 73.32 111.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -89.91 129.49 36.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.365 -0.379 . . . . 74.35 110.618 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.58 170.6 9.22 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.639 -0.709 . . . . 72.33 111.195 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.4 m -79.27 139.11 37.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.08 -0.509 . . . . 64.0 111.714 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -57.56 -29.67 64.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.906 -0.588 . . . . 71.45 112.485 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 p -91.86 -27.97 17.61 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.447 0.467 . . . . 73.13 111.411 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.83 36.63 4.96 Favored Glycine 0 C--N 1.34 0.784 0 O-C-N 123.52 0.512 . . . . 74.21 113.198 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 30.3 t80 -141.63 122.14 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.899 0.38 . . . . 74.13 111.082 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.2 m -114.22 123.44 49.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.274 -0.875 . . . . 71.24 110.127 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.55 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -88.19 120.56 29.66 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.136 -0.484 . . . . 63.04 110.647 179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.9 p -85.24 -7.45 59.02 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.539 -0.755 . . . . 72.11 112.484 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -73.97 -25.28 59.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.425 0.29 . . . . 75.31 111.232 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.59 0.58 1.85 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.762 -0.654 . . . . 62.53 111.276 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.17 53.41 6.62 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.758 0.823 . . . . 72.25 111.296 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -137.26 162.33 33.8 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.408 -0.815 . . . . 74.43 111.944 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.95 125.9 32.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.337 -0.847 . . . . 73.51 111.254 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.8 mttt -135.93 159.97 40.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.864 -0.607 . . . . 71.31 110.918 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.59 143.19 27.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.046 -0.524 . . . . 62.43 110.771 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.8 tttp . . . . . 0 N--CA 1.466 0.34 0 O-C-N 123.54 0.525 . . . . 74.42 110.824 -179.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.4 m-90 . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.561 0.22 . . . . 74.41 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -110.02 157.28 19.47 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.929 -0.578 . . . . 71.51 110.705 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.84 138.02 14.89 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 116.064 -0.516 . . . . 75.32 112.868 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 122.627 0.371 . . . . 52.33 111.109 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-O 120.286 -0.175 . . . . 54.0 112.686 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.86 153.35 19.22 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.643 0.377 . . . . 75.51 111.112 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.14 132.61 36.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.009 -0.541 . . . . 75.12 110.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.74 125.77 42.73 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.81 -124.21 0.7 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.899 -0.592 . . . . 70.33 112.735 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.79 -39.71 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.636 0.257 . . . . 74.14 111.317 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.08 -12.59 37.98 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.354 0.409 . . . . 73.2 111.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -93.37 171.39 8.95 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.415 0.447 . . . . 73.32 111.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.7 155.28 37.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.733 0.413 . . . . 74.35 111.898 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.08 166.38 13.9 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.757 -0.656 . . . . 72.33 111.258 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.5 m -82.04 138.24 34.89 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.072 -0.513 . . . . 64.0 111.317 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -73.15 -16.57 61.44 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.026 -0.534 . . . . 71.45 112.055 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -98.6 -28.25 13.64 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.452 0.47 . . . . 73.13 111.115 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 36.76 5.42 Favored Glycine 0 C--N 1.341 0.841 0 O-C-N 123.552 0.533 . . . . 74.21 113.37 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 28.0 t80 -141.24 119.94 12.54 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.928 0.394 . . . . 74.13 111.192 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.1 m -114.14 120.88 42.01 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.152 -0.931 . . . . 71.24 110.078 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -87.52 121.86 30.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.138 -0.483 . . . . 63.04 110.664 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.8 m -84.06 -7.26 59.44 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.906 0.754 . . . . 72.11 112.453 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -73.37 -24.7 60.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.434 0.294 . . . . 75.31 111.073 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -140.05 0.02 1.71 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.741 -0.663 . . . . 62.53 111.232 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.96 51.9 8.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.842 0.857 . . . . 72.25 111.296 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -139.42 163.17 33.22 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.972 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.45 128.65 34.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.332 -0.849 . . . . 73.51 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.6 mttt -135.93 159.8 40.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.925 -0.58 . . . . 71.31 111.142 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.23 147.64 24.04 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 62.43 110.855 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.523 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 30.2 mmtt . . . . . 0 N--CA 1.468 0.452 0 O-C-N 123.452 0.47 . . . . 74.42 111.422 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.556 0.217 . . . . 74.41 111.078 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -130.85 149.62 52.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.898 -0.592 . . . . 71.51 110.165 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.39 148.79 31.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.071 -0.513 . . . . 75.32 113.453 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 122.774 0.43 . . . . 52.33 111.143 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 112.503 -0.239 . . . . 54.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.53 153.37 18.21 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.728 0.411 . . . . 75.51 111.022 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.92 121.9 24.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.052 -0.522 . . . . 75.12 111.001 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 35.8 t -100.83 146.52 27.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.906 -0.588 . . . . 73.21 111.064 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.94 -120.68 0.96 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.672 -0.695 . . . . 70.33 112.178 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.54 84.8 2.82 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.281 0.562 . . . . 74.14 110.502 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.13 164.07 30.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.322 -0.854 . . . . 73.2 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.85 -28.16 28.2 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.507 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 tp -96.01 123.5 39.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.475 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -95.65 154.23 17.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.602 -0.726 . . . . 72.33 110.802 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -81.82 139.12 34.94 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.997 -0.547 . . . . 64.0 112.129 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -5.21 24.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.414 -0.812 . . . . 71.45 112.891 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.0 m -85.51 -28.77 24.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.01 0.374 . . . . 73.13 112.01 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.42 -42.59 3.14 Favored Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.453 -0.403 . . . . 74.21 113.628 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.53 126.12 35.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.95 0.405 . . . . 74.13 111.528 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 m -114.32 126.9 55.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 71.24 110.671 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -93.16 118.62 31.43 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.907 -0.588 . . . . 63.04 110.614 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -86.22 -8.1 58.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.514 -0.766 . . . . 72.11 112.181 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -76.81 -19.98 56.92 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.481 0.312 . . . . 75.31 111.162 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p -138.74 0.89 2.05 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.823 -0.626 . . . . 62.53 111.298 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.54 40.82 23.37 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.81 0.844 . . . . 72.25 111.764 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.1 p -132.26 158.01 42.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.573 -0.739 . . . . 74.43 111.483 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 10' ' ' CYS . 80.5 m -86.48 126.81 34.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.56 -0.745 . . . . 73.51 111.308 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.0 mttt -130.95 167.89 18.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.641 -0.708 . . . . 71.31 110.984 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.42 147.1 24.87 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.134 -0.485 . . . . 62.43 110.742 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tttt . . . . . 0 CA--C 1.535 0.378 0 O-C-N 123.544 0.527 . . . . 74.42 111.416 -179.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.47 0.176 . . . . 74.41 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 95.2 m -118.38 148.26 42.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.028 -0.533 . . . . 71.51 111.088 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 156.49 23.09 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.632 -0.713 . . . . 75.32 112.508 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 119.13 -0.462 . . . . 52.33 110.984 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 112.454 -0.259 . . . . 54.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -93.13 152.87 18.99 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 122.788 0.435 . . . . 75.51 110.792 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 126.45 30.79 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.37 0.419 . . . . 75.12 111.544 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.8 t -117.49 126.55 52.8 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.641 -0.709 . . . . 73.21 110.588 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.72 -49.46 0.14 Allowed Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.96 -0.564 . . . . 70.33 112.521 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.96 157.69 16.2 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.504 0.322 . . . . 74.14 110.949 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -88.13 93.52 9.52 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.21 0.528 . . . . 73.2 111.282 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -143.34 -46.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.29 -0.868 . . . . 73.32 110.527 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 16' ' ' TYR . 2.3 tt -133.7 142.76 48.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.244 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 91.5 m-85 -105.48 132.67 51.35 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.621 0.575 . . . . 72.33 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.56 138.0 31.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 64.0 111.219 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.77 -2.74 31.23 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.919 -0.582 . . . . 71.45 112.561 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' HA ' ' A' ' 31' ' ' ASP . 13.6 t -90.23 -29.13 18.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.642 -0.253 . . . . 73.13 111.352 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 -32.58 3.05 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 114.073 0.389 . . . . 74.21 114.073 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.22 120.4 32.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.049 0.452 . . . . 74.13 111.838 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -114.93 123.93 50.39 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.124 -0.943 . . . . 71.24 110.044 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.561 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.81 121.99 28.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.13 -0.486 . . . . 63.04 111.101 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.2 m -88.08 -9.93 51.74 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.537 -0.756 . . . . 72.11 112.116 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.21 -19.89 57.98 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.537 0.335 . . . . 75.31 111.187 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -138.1 -1.69 1.93 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 62.53 111.321 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.04 49.28 11.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.85 0.86 . . . . 72.25 111.559 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.1 p -139.45 157.8 45.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.393 -0.821 . . . . 74.43 111.736 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.18 125.02 30.42 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.224 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.561 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.8 mttt -131.86 161.85 32.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.719 -0.673 . . . . 71.31 111.258 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 8.1 m-20 -88.52 142.75 27.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.984 -0.553 . . . . 62.43 110.768 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttt . . . . . 0 C--O 1.235 0.294 0 CA-C-N 116.093 -0.503 . . . . 74.42 110.857 -179.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.2 m95 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.514 0.197 . . . . 74.41 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -101.56 136.91 40.6 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.862 -0.608 . . . . 71.51 110.595 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.69 143.61 16.83 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.936 -0.575 . . . . 75.32 112.931 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 122.793 0.437 . . . . 52.33 111.193 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 112.597 -0.201 . . . . 54.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 153.3 17.77 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.697 0.399 . . . . 75.51 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -81.26 137.7 35.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.819 -0.628 . . . . 75.12 110.99 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 86.4 m -95.69 152.87 18.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.928 -0.578 . . . . 73.21 111.354 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.86 -160.11 33.45 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.807 -0.633 . . . . 70.33 112.722 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -97.56 -44.31 6.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.374 0.27 . . . . 74.14 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.55 -3.49 54.98 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.367 0.417 . . . . 73.2 111.326 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -92.45 172.49 8.35 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.849 -0.614 . . . . 73.32 110.956 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -75.92 152.9 36.99 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.399 -0.364 . . . . 74.35 111.56 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' H ' HD23 ' A' ' 15' ' ' LEU . 88.5 m-85 -83.26 159.88 21.86 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.893 -0.594 . . . . 72.33 111.459 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 58.1 m -93.28 138.57 31.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.818 -0.628 . . . . 64.0 111.334 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.52 -14.8 61.28 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.589 0.556 . . . . 71.45 112.119 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.6 m -94.81 -28.4 15.27 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 73.13 111.595 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.71 -22.28 40.04 Favored Glycine 0 C--N 1.34 0.798 0 O-C-N 123.448 0.467 . . . . 74.21 113.603 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 31.3 t80 -95.38 123.01 38.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.986 0.422 . . . . 74.13 111.558 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.6 m -114.44 124.78 52.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.135 -0.939 . . . . 71.24 110.321 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.79 125.23 35.23 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.429 179.295 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -82.87 -7.21 59.68 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.044 0.84 . . . . 72.11 112.405 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -71.05 -27.57 63.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.438 0.295 . . . . 75.31 111.196 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -140.54 1.23 1.73 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.682 -0.69 . . . . 62.53 111.248 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.74 52.98 7.52 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.808 0.843 . . . . 72.25 111.139 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -139.04 166.57 24.15 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.444 -0.798 . . . . 74.43 112.176 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.73 130.9 35.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.32 -0.854 . . . . 73.51 111.358 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 78.2 mttt -139.66 157.65 45.42 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.495 0.497 . . . . 71.31 111.239 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.87 147.39 23.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.791 -0.64 . . . . 62.43 110.78 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 mttt . . . . . 0 N--CA 1.468 0.426 0 O-C-N 123.42 0.45 . . . . 74.42 111.383 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 120.519 0.199 . . . . 74.41 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.96 151.71 33.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.959 -0.564 . . . . 71.51 110.412 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.81 137.48 14.84 Favored Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.812 -0.631 . . . . 75.32 112.819 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 119.261 -0.4 . . . . 52.33 111.243 -179.637 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.477 0 CA-C-O 120.233 -0.204 . . . . 54.0 112.68 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.671 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . . . -91.46 153.03 20.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.638 0.375 . . . . 75.51 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 134.69 34.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.973 -0.558 . . . . 75.12 110.997 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.7 m -102.53 127.59 49.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.593 . . . . 73.21 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.12 -33.79 5.8 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.904 -0.589 . . . . 70.33 113.259 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.23 -39.02 12.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.826 0.306 . . . . 74.14 111.826 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.59 154.32 17.43 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.316 0.385 . . . . 73.2 111.264 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.96 -8.85 53.35 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.842 -0.617 . . . . 73.32 111.814 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -90.48 136.6 32.96 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.724 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -92.2 153.72 19.12 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.604 -0.725 . . . . 72.33 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 8' ' ' ALA . 55.4 m -89.59 139.45 30.53 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.987 -0.552 . . . . 64.0 111.754 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -56.22 -19.83 15.54 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.571 0.952 . . . . 71.45 113.571 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -83.22 -29.06 28.8 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.931 0.345 . . . . 73.13 111.931 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.09 -27.57 4.44 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -89.33 121.46 31.62 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.976 0.417 . . . . 74.13 111.666 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.48 123.37 49.23 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.137 -0.938 . . . . 71.24 110.25 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.13 124.77 34.64 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.005 -0.543 . . . . 63.04 110.908 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.38 -9.56 58.32 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.486 -0.779 . . . . 72.11 112.318 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -73.26 -21.96 60.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.47 0.308 . . . . 75.31 111.059 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -139.39 -0.32 1.8 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.674 -0.694 . . . . 62.53 111.137 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 57.8 42.07 23.96 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.849 0.86 . . . . 72.25 111.562 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.7 p -136.12 162.81 31.88 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.559 -0.746 . . . . 74.43 111.69 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 42.0 m -80.81 131.76 35.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.501 -0.772 . . . . 73.51 111.76 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 84.6 mttt -133.85 161.34 35.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.713 -0.676 . . . . 71.31 110.833 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.73 130.3 35.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.023 -0.535 . . . . 62.43 110.802 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 tttt . . . . . 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 74.42 110.714 -179.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.451 0.167 . . . . 74.41 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 71.0 m -107.85 147.45 30.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.984 -0.553 . . . . 71.51 110.925 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.28 -174.15 31.38 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.676 -0.693 . . . . 75.32 112.755 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 CA--C 1.537 0.467 0 CA-C-O 119.328 -0.368 . . . . 52.33 110.65 179.692 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 112.25 -0.34 . . . . 54.0 112.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -86.04 153.19 22.3 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.969 0.508 . . . . 75.51 111.339 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.077 -0.51 . . . . 75.12 111.301 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.7 t -111.32 144.69 40.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.79 -0.641 . . . . 73.21 110.794 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.51 -140.74 4.68 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.646 0.591 . . . . 70.33 112.567 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.15 -40.76 9.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.417 0.287 . . . . 74.14 111.565 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.6 -9.88 53.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.712 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.56 166.16 12.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.975 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.91 168.67 19.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.24 -0.436 . . . . 74.35 111.557 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.618 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 10.6 t80 -90.12 145.67 24.87 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.312 -0.404 . . . . 72.33 110.797 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.9 m -98.82 139.06 35.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.849 -0.614 . . . . 64.0 111.256 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 m -72.1 -2.44 18.53 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.758 0.651 . . . . 71.45 112.758 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -84.56 -28.71 26.42 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.304 0.242 . . . . 73.13 111.544 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.65 15.71 72.63 Favored Glycine 0 C--N 1.343 0.929 0 O-C-N 123.485 0.491 . . . . 74.21 114.236 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 33.7 t80 -135.22 113.69 11.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 117.175 0.487 . . . . 74.13 111.507 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 108.97 17.1 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.088 -0.96 . . . . 71.24 109.928 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.21 120.53 21.62 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.187 -0.46 . . . . 63.04 111.084 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.5 m -85.67 -7.39 58.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.561 -0.745 . . . . 72.11 112.374 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -77.44 -23.64 50.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.476 0.311 . . . . 75.31 111.19 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -139.03 1.27 2.02 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.358 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.5 mttt 58.28 47.58 13.88 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.781 0.832 . . . . 72.25 111.475 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.7 p -139.58 153.96 47.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.594 -0.73 . . . . 74.43 111.814 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.91 133.44 34.72 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.414 -0.812 . . . . 73.51 111.335 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.5 170.75 15.55 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.568 0.542 . . . . 71.31 111.182 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.82 154.03 20.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.082 -0.508 . . . . 62.43 110.71 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.209 -179.72 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.549 0.214 . . . . 74.41 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -100.11 146.72 26.47 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.901 -0.59 . . . . 71.51 110.631 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 125.16 8.38 Favored Glycine 0 C--N 1.338 0.649 0 O-C-N 123.574 0.546 . . . . 75.32 112.838 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 122.648 0.379 . . . . 52.33 110.938 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 120.133 -0.259 . . . . 54.0 112.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.97 151.96 19.18 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.423 0.289 . . . . 75.51 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.06 123.71 32.43 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.898 -0.592 . . . . 75.12 110.891 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.7 p -121.84 122.59 39.8 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.575 0.547 . . . . 73.21 111.063 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.45 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.556 -0.747 . . . . 70.33 112.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -94.99 165.6 12.36 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.531 0.332 . . . . 74.14 110.566 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.4 89.77 6.14 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.407 0.622 . . . . 73.2 111.341 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.17 -46.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.201 -0.909 . . . . 73.32 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -132.22 149.21 52.43 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.56 0.537 . . . . 74.35 110.612 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' H ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -108.54 160.06 16.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.004 -0.544 . . . . 72.33 111.139 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -80.49 138.38 36.56 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.693 -0.685 . . . . 64.0 111.389 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.82 -36.32 82.11 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.032 -0.531 . . . . 71.45 112.178 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -96.42 -27.99 14.65 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.457 0.473 . . . . 73.13 111.05 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.418 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.47 32.58 5.97 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 116.096 -0.502 . . . . 74.21 113.05 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -141.71 119.99 12.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.779 0.323 . . . . 74.13 110.97 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.04 124.98 52.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.526 -0.761 . . . . 71.24 110.161 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.562 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -82.12 123.77 29.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.12 -0.491 . . . . 63.04 110.988 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 t -85.66 -7.49 58.78 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.946 0.779 . . . . 72.11 112.124 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.88 -22.51 56.07 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.496 0.318 . . . . 75.31 111.128 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.45 -1.47 1.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.784 -0.644 . . . . 62.53 111.224 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.3 51.73 8.08 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.867 0.867 . . . . 72.25 111.332 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 p -134.74 161.28 35.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.494 -0.775 . . . . 74.43 111.919 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 122.2 28.48 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.659 -0.7 . . . . 73.51 110.87 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 85.5 mttt -130.16 165.9 21.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.95 -0.568 . . . . 71.31 111.233 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.56 144.49 26.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.079 -0.509 . . . . 62.43 110.845 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 tttt . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.017 -0.538 . . . . 74.42 111.108 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.543 0.211 . . . . 74.41 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.41 130.35 49.16 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.962 -0.563 . . . . 71.51 109.784 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 119.86 5.1 Favored Glycine 0 C--N 1.338 0.66 0 O-C-N 123.548 0.53 . . . . 75.32 113.343 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 122.851 0.46 . . . . 52.33 111.072 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 CA-C-O 120.229 -0.206 . . . . 54.0 112.767 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.25 18.86 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 122.617 0.367 . . . . 75.51 111.037 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 117.03 22.83 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.041 -0.527 . . . . 75.12 110.919 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.68 121.63 43.98 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.821 -0.627 . . . . 73.21 110.777 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.4 -100.04 2.64 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.797 -0.638 . . . . 70.33 112.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -125.15 -54.0 1.61 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.654 0.267 . . . . 74.14 110.553 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.33 90.79 2.13 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.071 0.462 . . . . 73.2 110.877 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.64 -59.44 0.37 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.638 -0.71 . . . . 73.32 110.352 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -147.88 143.47 27.43 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.442 0.464 . . . . 74.35 110.008 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.67 158.2 15.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.824 -0.625 . . . . 72.33 111.215 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.519 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -85.8 138.47 32.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.827 -0.624 . . . . 64.0 111.658 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.98 69.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.875 -0.602 . . . . 71.45 111.935 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 p -99.15 -28.22 13.46 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.535 . . . . 73.13 111.0 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.519 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.91 45.9 2.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 116.069 -0.514 . . . . 74.21 113.321 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 26.1 t80 -145.91 113.91 6.53 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.064 0.459 . . . . 74.13 111.439 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.45 113.85 24.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.331 -0.85 . . . . 71.24 109.931 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.92 118.81 21.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.238 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 t -89.37 -9.34 50.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.508 -0.769 . . . . 72.11 111.906 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.68 -26.61 45.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.509 0.324 . . . . 75.31 111.042 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -128.98 -1.82 5.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.806 -0.634 . . . . 62.53 111.151 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.42 48.12 12.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.874 0.87 . . . . 72.25 111.571 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.11 157.34 45.43 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.56 -0.746 . . . . 74.43 111.589 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 130.36 34.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.836 -0.62 . . . . 73.51 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 89.9 mttt -137.57 169.63 17.46 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.368 0.418 . . . . 71.31 111.142 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 159.25 17.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.081 -0.508 . . . . 62.43 110.737 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.47 0.563 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.419 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.8 m95 . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.521 0.201 . . . . 74.41 110.968 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -119.37 155.54 31.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.986 -0.552 . . . . 71.51 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' HD21 ' A' ' 15' ' ' LEU . . . -90.49 145.42 17.99 Favored Glycine 0 C--N 1.34 0.758 0 CA-C-N 116.008 -0.542 . . . . 75.32 113.075 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 119.179 -0.438 . . . . 52.33 110.899 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 CA-C-O 120.253 -0.193 . . . . 54.0 112.715 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.0 153.64 19.03 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.608 0.363 . . . . 75.51 111.07 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.13 122.81 26.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.969 -0.559 . . . . 75.12 110.997 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -102.39 148.27 25.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.885 -0.598 . . . . 73.21 111.047 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.09 -142.73 4.8 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.855 -0.612 . . . . 70.33 112.61 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.75 -43.96 6.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.398 0.279 . . . . 74.14 111.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.98 -4.25 53.01 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.364 0.415 . . . . 73.2 111.467 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 9' ' ' THR . 35.6 mtm180 -91.76 174.82 7.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.998 -0.546 . . . . 73.32 110.962 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -71.84 155.42 40.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.746 0.418 . . . . 74.35 111.759 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' H ' HD23 ' A' ' 15' ' ' LEU . 89.5 m-85 -83.69 162.84 20.58 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.911 -0.586 . . . . 72.33 111.853 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 138.64 31.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.656 -0.702 . . . . 64.0 111.505 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.7 -30.33 64.13 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.898 -0.592 . . . . 71.45 111.984 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 m -92.73 -28.11 16.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.309 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.75 30.38 6.84 Favored Glycine 0 C--N 1.339 0.743 0 O-C-N 123.486 0.491 . . . . 74.21 113.363 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -139.71 115.3 10.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.001 0.429 . . . . 74.13 111.268 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.0 m -114.74 120.74 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.25 -0.886 . . . . 71.24 109.911 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.57 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.89 120.46 24.74 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.103 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -85.44 -9.79 57.03 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.368 -0.833 . . . . 72.11 112.331 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -74.42 -20.44 60.04 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.165 0.29 . . . . 75.31 111.144 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.47 -1.2 1.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.726 -0.67 . . . . 62.53 111.221 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.29 45.31 17.28 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.848 0.859 . . . . 72.25 111.543 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -131.03 161.32 32.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.499 -0.773 . . . . 74.43 111.598 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 126.16 33.39 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.753 -0.658 . . . . 73.51 111.031 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.1 mttt -133.66 160.63 36.95 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.954 -0.566 . . . . 71.31 111.127 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.44 143.46 26.97 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.028 -0.533 . . . . 62.43 110.835 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttt . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 116.009 -0.541 . . . . 74.42 111.079 -179.787 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.4 m95 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.443 0.164 . . . . 74.41 111.065 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.36 134.06 45.0 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.626 0.579 . . . . 71.51 110.571 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.81 136.9 13.29 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.588 0.555 . . . . 75.32 113.043 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 119.23 -0.414 . . . . 52.33 111.017 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 CA-C-O 120.178 -0.234 . . . . 54.0 112.725 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.04 153.26 19.36 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.564 0.346 . . . . 75.51 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -83.89 122.63 28.98 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 75.12 110.727 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.96 150.33 22.99 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.902 -0.59 . . . . 73.21 111.299 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.99 -135.41 2.18 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 115.818 -0.628 . . . . 70.33 112.455 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -103.02 -46.25 4.71 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.277 0.231 . . . . 74.14 111.149 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.54 3.74 50.54 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.384 0.427 . . . . 73.2 111.25 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 9' ' ' THR . 73.1 mtt180 -91.69 177.09 6.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.025 -0.534 . . . . 73.32 111.156 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -71.14 152.98 42.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 122.789 0.436 . . . . 74.35 111.727 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -81.79 160.52 23.54 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.851 -0.613 . . . . 72.33 111.386 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 138.63 31.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.776 -0.647 . . . . 64.0 111.768 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 m -69.53 -34.8 74.76 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.781 -0.645 . . . . 71.45 112.089 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -92.33 -28.11 17.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.239 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 31.32 6.26 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.418 0.449 . . . . 74.21 113.309 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.69 116.73 11.7 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.988 0.423 . . . . 74.13 111.061 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.5 m -114.48 121.89 44.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.302 -0.863 . . . . 71.24 110.09 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.569 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -82.36 120.77 25.84 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 116.2 -0.455 . . . . 63.04 111.032 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -84.68 -7.38 59.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.431 -0.804 . . . . 72.11 112.347 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -72.91 -24.83 60.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.455 0.302 . . . . 75.31 111.142 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.72 1.39 1.9 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.737 -0.665 . . . . 62.53 111.231 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.38 46.72 14.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.876 0.87 . . . . 72.25 111.431 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -128.52 161.67 29.03 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.4 -0.818 . . . . 74.43 111.629 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 125.43 33.51 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.731 -0.668 . . . . 73.51 111.018 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.569 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.6 mttt -133.66 159.9 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.87 -0.604 . . . . 71.31 111.06 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.5 143.51 26.93 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.039 -0.528 . . . . 62.43 110.871 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tttt . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.046 -0.525 . . . . 74.42 111.171 -179.777 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.528 0.204 . . . . 74.41 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.5 127.73 46.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.877 -0.601 . . . . 71.51 110.637 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.47 141.01 15.37 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.931 -0.577 . . . . 75.32 112.692 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 122.826 0.45 . . . . 52.33 111.356 -179.836 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.402 0 N-CA-C 112.463 -0.255 . . . . 54.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -88.68 152.96 21.48 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 122.758 0.423 . . . . 75.51 110.934 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 131.58 35.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.545 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -107.95 150.36 27.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.64 -0.709 . . . . 73.21 110.792 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.96 -57.15 0.45 Allowed Glycine 0 C--N 1.337 0.593 0 O-C-N 123.563 0.539 . . . . 70.33 112.59 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -96.28 153.34 17.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.385 0.274 . . . . 74.14 110.956 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.74 94.85 9.21 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.244 0.545 . . . . 73.2 110.681 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -143.0 -41.91 0.31 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.422 -0.808 . . . . 73.32 110.892 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.4 tt -125.99 144.49 50.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.087 -0.506 . . . . 74.35 110.52 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.483 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.7 t80 -95.18 133.25 39.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 72.33 110.271 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.37 138.52 37.7 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.965 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.38 -28.87 65.44 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.603 -0.726 . . . . 71.45 112.453 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t -91.71 -28.65 17.3 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.364 0.415 . . . . 73.13 111.679 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.16 -27.98 7.1 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 123.333 0.396 . . . . 74.21 113.688 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -90.12 120.53 31.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.969 0.414 . . . . 74.13 111.461 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.11 122.38 47.39 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.931 . . . . 71.24 110.585 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.81 120.94 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.819 -0.628 . . . . 63.04 110.824 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 p -85.48 -9.33 57.6 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.41 -0.813 . . . . 72.11 112.259 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -76.2 -19.92 57.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.523 0.329 . . . . 75.31 111.134 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -136.05 -0.47 2.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.736 -0.665 . . . . 62.53 111.232 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.57 39.32 24.89 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.78 0.832 . . . . 72.25 111.769 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.4 p -139.09 160.7 39.16 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.604 -0.725 . . . . 74.43 111.323 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 134.74 34.21 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.116 -0.493 . . . . 73.51 111.558 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 89.9 mttt -132.91 163.86 28.22 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.494 -0.775 . . . . 71.31 110.968 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.6 128.23 35.57 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.777 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 tttp . . . . . 0 C--O 1.234 0.278 0 CA-C-N 116.035 -0.53 . . . . 74.42 110.847 -179.739 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.565 0.221 . . . . 74.41 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 t -125.47 155.52 40.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.908 -0.587 . . . . 71.51 110.762 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 169.83 31.56 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 115.816 -0.629 . . . . 75.32 112.939 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.542 0.656 0 CA-C-O 119.182 -0.437 . . . . 52.33 110.9 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 112.251 -0.34 . . . . 54.0 112.251 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 153.64 22.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.073 0.549 . . . . 75.51 111.694 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m -77.07 125.44 29.32 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.727 -0.669 . . . . 75.12 111.048 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.2 m -96.84 152.62 18.51 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 73.21 111.401 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.23 -152.57 12.94 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.84 -0.618 . . . . 70.33 112.532 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -101.53 -44.55 5.56 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.607 0.239 . . . . 74.14 111.218 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.67 0.9 56.68 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.374 0.421 . . . . 73.2 111.397 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -92.52 173.25 7.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.089 -0.505 . . . . 73.32 111.214 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -71.97 158.51 35.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.827 0.451 . . . . 74.35 111.845 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.506 ' H ' HD23 ' A' ' 15' ' ' LEU . 87.8 m-85 -75.64 153.44 37.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.066 -0.515 . . . . 72.33 111.778 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -97.81 138.33 35.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.68 -0.691 . . . . 64.0 111.709 -179.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.18 -19.01 30.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.676 -0.693 . . . . 71.45 111.956 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -86.37 -28.44 23.61 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.964 0.357 . . . . 73.13 111.964 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.02 -39.53 2.91 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 121.366 -0.445 . . . . 74.21 113.439 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 40.6 t80 -92.08 116.86 29.3 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.074 0.464 . . . . 74.13 111.674 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.0 m -114.55 120.22 39.45 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.003 -0.999 . . . . 71.24 109.984 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.2 127.94 33.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.007 -0.542 . . . . 63.04 110.831 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.7 m -83.9 -9.23 58.88 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.941 0.776 . . . . 72.11 112.352 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.0 -22.8 60.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.472 0.309 . . . . 75.31 111.081 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -139.43 -1.01 1.73 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.598 -0.728 . . . . 62.53 111.153 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.8 mttt 57.16 46.6 18.65 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.867 0.867 . . . . 72.25 111.513 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -140.92 163.94 31.6 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.633 -0.712 . . . . 74.43 111.956 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 132.71 38.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.855 -0.611 . . . . 73.51 111.872 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' HD2' ' A' ' 21' ' ' PHE . 23.4 mttm -136.24 161.98 34.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.477 -0.783 . . . . 71.31 110.934 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.55 142.88 27.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.088 -0.505 . . . . 62.43 111.0 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.9 tttt . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.069 -0.514 . . . . 74.42 111.075 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.5 m95 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.413 0.149 . . . . 74.41 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 t -113.15 146.91 38.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.058 -0.519 . . . . 71.51 110.755 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.93 136.81 13.7 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.855 -0.611 . . . . 75.32 112.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 122.78 0.432 . . . . 52.33 111.314 -179.895 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.458 0 N-CA-C 112.427 -0.269 . . . . 54.0 112.427 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.81 153.21 18.41 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.827 0.451 . . . . 75.51 110.892 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.72 121.62 22.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 75.12 111.345 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.73 128.92 53.98 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.687 -0.688 . . . . 73.21 110.767 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.28 -47.42 0.23 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.871 -0.604 . . . . 70.33 112.645 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.34 152.8 18.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.507 0.323 . . . . 74.14 110.889 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tt -93.31 94.18 8.61 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.18 0.514 . . . . 73.2 110.713 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -144.7 -43.56 0.24 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.483 -0.781 . . . . 73.32 110.892 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD21 ' H ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -130.48 149.11 52.3 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.493 0.496 . . . . 74.35 110.772 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.436 ' H ' HD21 ' A' ' 15' ' ' LEU . 9.9 t80 -93.06 152.47 19.26 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.042 -0.526 . . . . 72.33 110.843 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.83 138.76 33.02 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.851 -0.613 . . . . 64.0 111.408 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.57 -28.21 60.83 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.833 -0.621 . . . . 71.45 112.298 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 p -93.07 -28.85 16.1 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.266 0.354 . . . . 73.13 111.925 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.9 -20.35 20.54 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 121.543 -0.36 . . . . 74.21 113.82 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -90.58 122.56 33.49 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.948 0.404 . . . . 74.13 111.404 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 m -114.15 121.63 44.35 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.214 -0.903 . . . . 71.24 110.568 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.5 122.82 33.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.838 -0.619 . . . . 63.04 110.793 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -86.12 -7.33 58.66 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.568 -0.742 . . . . 72.11 112.361 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -75.47 -21.81 57.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.486 0.314 . . . . 75.31 111.188 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.85 0.25 1.97 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.762 -0.654 . . . . 62.53 111.263 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.3 45.88 16.4 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.829 0.852 . . . . 72.25 111.566 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 p -140.07 160.3 40.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.411 -0.813 . . . . 74.43 111.337 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 130.95 34.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.226 -0.443 . . . . 73.51 111.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -130.89 162.8 28.85 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.486 -0.779 . . . . 71.31 111.145 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.31 124.94 34.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.999 -0.546 . . . . 62.43 110.589 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.0 pttt . . . . . 0 N--CA 1.469 0.514 0 CA-C-N 116.119 -0.492 . . . . 74.42 111.541 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.518 0.199 . . . . 74.41 111.158 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -101.91 126.13 48.75 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.896 -0.593 . . . . 71.51 109.692 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.56 4.65 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 116.054 -0.521 . . . . 75.32 113.287 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.539 0.538 0 C-N-CA 122.797 0.439 . . . . 52.33 111.008 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 CA-C-O 120.247 -0.196 . . . . 54.0 112.755 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.8 153.4 19.16 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.603 0.361 . . . . 75.51 110.978 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 119.88 24.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.985 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -107.13 116.06 31.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.742 -0.663 . . . . 73.21 110.599 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.76 -49.46 0.57 Allowed Glycine 0 C--N 1.338 0.657 0 CA-C-N 115.927 -0.579 . . . . 70.33 112.951 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.38 -40.88 11.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.366 0.266 . . . . 74.14 111.646 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.08 147.7 22.63 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.384 0.427 . . . . 73.2 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -95.16 85.33 4.28 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.311 0.577 . . . . 73.32 111.105 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -144.83 139.51 27.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.316 -0.856 . . . . 74.35 110.025 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -94.46 157.02 16.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.75 -0.659 . . . . 72.33 111.208 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -83.9 138.59 33.09 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.702 -0.681 . . . . 64.0 111.714 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.2 -31.9 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.793 -0.639 . . . . 71.45 112.007 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 p -96.89 -28.07 14.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.038 -0.528 . . . . 73.13 111.083 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 100.84 45.5 1.91 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.051 -0.522 . . . . 74.21 113.334 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.578 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.0 t80 -143.46 113.69 7.34 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.065 0.46 . . . . 74.13 111.428 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.4 111.12 20.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.262 -0.881 . . . . 71.24 109.801 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -77.79 119.64 21.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.949 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -84.42 -35.62 22.96 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.06 0.763 . . . . 72.11 113.06 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -37.8 82.97 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.58 0.229 . . . . 75.31 111.197 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 23' ' ' ASP . 71.2 p -98.32 -10.99 23.02 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.774 -0.648 . . . . 62.53 111.146 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 57.1 43.34 24.37 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 72.25 111.796 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -145.18 160.86 40.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.567 -0.742 . . . . 74.43 111.452 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 131.86 34.32 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.931 -0.577 . . . . 73.51 111.05 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.46 175.0 9.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.946 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -88.8 151.4 22.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.795 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 tttt . . . . . 0 CA--C 1.535 0.402 0 CA-C-N 116.073 -0.512 . . . . 74.42 111.028 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.6 m95 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 120.493 0.187 . . . . 74.41 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 34.7 t -129.07 140.68 51.49 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.889 -0.596 . . . . 71.51 110.668 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.02 170.97 22.12 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 115.652 -0.704 . . . . 75.32 112.503 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 119.133 -0.461 . . . . 52.33 110.763 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.483 0 N-CA-C 112.434 -0.266 . . . . 54.0 112.434 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.57 153.07 20.61 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.771 0.428 . . . . 75.51 110.991 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -80.08 134.01 36.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.932 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.7 t -104.39 145.11 30.73 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.869 -0.605 . . . . 73.21 111.039 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.37 -152.06 6.35 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.799 -0.637 . . . . 70.33 112.534 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.55 -41.25 6.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.275 0.23 . . . . 74.14 111.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.36 6.21 47.76 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 123.342 0.401 . . . . 73.2 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 9' ' ' THR . 75.9 mtt180 -92.99 171.56 8.87 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.115 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.84 170.48 15.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.868 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 88.3 m-85 -90.99 153.02 20.46 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.145 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.2 m -104.68 139.4 39.56 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 64.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.2 m -52.8 -31.36 38.27 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.463 0.912 . . . . 71.45 113.463 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -85.46 -29.04 24.63 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.867 0.321 . . . . 73.13 111.867 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.31 24.72 67.67 Favored Glycine 0 C--N 1.342 0.868 0 O-C-N 123.382 0.427 . . . . 74.21 113.971 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -127.99 120.04 26.73 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.99 0.424 . . . . 74.13 110.969 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.5 m -114.19 119.69 37.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.176 -0.92 . . . . 71.24 110.373 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.16 123.51 32.27 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.905 -0.589 . . . . 63.04 110.767 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.31 -7.47 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.509 -0.769 . . . . 72.11 112.449 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -73.47 -24.26 60.18 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.456 0.302 . . . . 75.31 111.108 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -139.96 1.33 1.85 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.685 -0.688 . . . . 62.53 111.169 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 tttt 57.91 44.03 20.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.898 0.879 . . . . 72.25 111.248 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -135.95 160.1 39.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.529 -0.759 . . . . 74.43 111.691 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 m -82.06 130.92 35.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.45 -0.795 . . . . 73.51 111.701 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -132.76 163.29 29.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.463 -0.79 . . . . 71.31 110.933 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.58 125.44 34.8 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.166 -0.47 . . . . 62.43 110.862 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttt . . . . . 0 C--O 1.235 0.342 0 CA-C-N 115.885 -0.598 . . . . 74.42 110.728 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.534 0.207 . . . . 74.41 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -115.98 142.86 46.22 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.023 -0.535 . . . . 71.51 110.308 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.43 132.8 11.39 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.99 -0.55 . . . . 75.32 112.861 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 122.674 0.389 . . . . 52.33 111.263 -179.613 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.456 0 CA-C-O 120.233 -0.204 . . . . 54.0 112.729 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.82 152.79 21.1 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.632 0.373 . . . . 75.51 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 140.67 29.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.029 -0.532 . . . . 75.12 111.146 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 75.3 m -108.05 148.45 29.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 73.21 110.877 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.72 -61.06 0.28 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.875 -0.602 . . . . 70.33 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -98.15 153.31 18.54 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.686 0.286 . . . . 74.14 110.871 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.47 99.18 11.71 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.079 -0.51 . . . . 73.2 111.174 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -142.8 -47.71 0.32 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.424 -0.807 . . . . 73.32 110.532 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -135.66 137.33 41.72 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 116.015 -0.539 . . . . 74.35 110.241 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -94.89 153.89 17.48 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.676 -0.693 . . . . 72.33 110.768 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.5 m -90.16 139.12 30.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.968 -0.56 . . . . 64.0 111.416 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.8 m -56.19 -26.35 50.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.195 0.813 . . . . 71.45 113.195 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -91.11 -29.01 17.54 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.068 0.23 . . . . 73.13 111.606 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.78 51.36 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 20.7 t80 -136.9 121.05 17.85 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.892 0.377 . . . . 74.13 111.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 m -114.04 117.44 31.3 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 71.24 110.625 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.07 124.81 34.65 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.818 -0.628 . . . . 63.04 110.65 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.29 -7.24 59.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.589 -0.732 . . . . 72.11 112.473 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -73.36 -25.34 60.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.456 0.302 . . . . 75.31 111.122 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -139.46 1.49 1.96 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.801 -0.636 . . . . 62.53 111.206 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.22 46.17 16.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.875 0.87 . . . . 72.25 111.433 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.34 158.1 44.32 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.45 -0.795 . . . . 74.43 111.527 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 17.6 m -80.62 132.49 35.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.595 -0.729 . . . . 73.51 111.686 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 87.5 mttt -131.33 166.85 20.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.443 -0.799 . . . . 71.31 111.059 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.37 140.35 29.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 62.43 110.629 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mttm . . . . . 0 N--CA 1.468 0.425 0 O-C-N 123.439 0.462 . . . . 74.42 111.241 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.591 0.234 . . . . 74.41 111.072 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 134.4 51.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.787 -0.642 . . . . 71.51 110.104 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 137.83 14.11 Favored Glycine 0 C--N 1.337 0.594 0 O-C-N 123.605 0.566 . . . . 75.32 112.892 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 122.569 0.348 . . . . 52.33 111.232 -179.737 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 112.544 -0.222 . . . . 54.0 112.544 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -98.66 153.19 18.88 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.757 0.423 . . . . 75.51 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.01 121.34 22.6 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.957 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.6 t -98.08 127.4 44.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.762 -0.654 . . . . 73.21 111.035 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.5 -122.54 4.85 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.719 -0.673 . . . . 70.33 112.317 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.04 -53.02 1.21 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.539 0.199 . . . . 74.14 110.99 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -142.4 77.2 1.57 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.27 0.557 . . . . 73.2 110.866 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.68 -58.69 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.578 -0.737 . . . . 73.32 110.525 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -149.68 136.28 19.27 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.832 0.453 . . . . 74.35 110.241 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -98.48 143.45 28.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.651 -0.704 . . . . 72.33 110.307 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.2 138.91 31.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 64.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -19.27 61.49 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.1 0.778 . . . . 71.45 113.1 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -87.96 -28.74 21.28 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.279 0.362 . . . . 73.13 111.708 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.25 60.26 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 123.377 0.423 . . . . 74.21 113.954 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.584 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.4 t80 -95.71 116.92 29.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.963 0.411 . . . . 74.13 111.327 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.6 m -114.99 111.57 21.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.264 -0.88 . . . . 71.24 110.275 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.497 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -81.93 120.36 25.12 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.112 -0.494 . . . . 63.04 110.977 179.493 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -85.92 -7.91 58.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.527 -0.76 . . . . 72.11 112.269 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -77.68 -22.23 50.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.463 0.305 . . . . 75.31 111.106 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.76 1.38 2.09 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.866 -0.606 . . . . 62.53 111.286 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.6 mttt 58.43 42.13 21.72 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.791 0.837 . . . . 72.25 111.625 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.7 p -137.72 154.18 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.449 -0.796 . . . . 74.43 111.605 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.43 138.22 32.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.485 -0.78 . . . . 73.51 111.545 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 94.2 mttt -137.57 178.01 7.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.681 -0.69 . . . . 71.31 110.827 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.54 145.08 25.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.33 -0.396 . . . . 62.43 110.631 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.7 tttt . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 116.057 -0.52 . . . . 74.42 111.289 -179.692 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.476 0.179 . . . . 74.41 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.17 151.68 37.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.974 -0.557 . . . . 71.51 110.672 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 15' ' ' LEU . . . -86.05 159.76 32.99 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-N 115.952 -0.567 . . . . 75.32 113.155 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 119.089 -0.481 . . . . 52.33 111.031 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 112.413 -0.275 . . . . 54.0 112.413 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -94.23 153.41 18.07 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 122.812 0.445 . . . . 75.51 111.144 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -74.3 124.76 27.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.041 -0.527 . . . . 75.12 111.2 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.4 m -96.48 138.64 33.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.874 -0.603 . . . . 73.21 111.035 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.22 -152.49 9.36 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.661 0.6 . . . . 70.33 112.582 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.46 -40.67 6.59 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.64 0.259 . . . . 74.14 111.257 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.66 -1.7 54.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.557 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.46 174.49 7.35 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.193 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 16' ' ' TYR . 1.3 tt -72.01 151.65 43.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.21 -0.45 . . . . 74.35 111.276 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.576 ' N ' HD22 ' A' ' 15' ' ' LEU . 10.1 t80 -71.82 151.6 43.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.204 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.73 137.96 35.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.798 -0.637 . . . . 64.0 111.959 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -9.98 39.76 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.502 -0.772 . . . . 71.45 111.597 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -89.45 -28.65 19.56 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.307 0.379 . . . . 73.13 111.56 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -40.98 2.59 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 121.401 -0.428 . . . . 74.21 113.631 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -92.05 117.01 29.43 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.165 0.507 . . . . 74.13 111.827 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -114.2 119.43 37.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.994 -1.003 . . . . 71.24 110.15 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 121.14 27.0 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.886 -0.597 . . . . 63.04 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.66 -10.05 57.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.437 -0.801 . . . . 72.11 112.231 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.09 -19.83 59.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.473 0.309 . . . . 75.31 111.095 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -136.54 -0.83 2.35 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.666 -0.697 . . . . 62.53 111.169 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 9' ' ' THR . 58.0 mmtt 58.95 37.23 24.67 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.868 0.867 . . . . 72.25 111.728 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.0 p -136.26 161.77 34.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 74.43 111.432 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 136.83 34.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.156 -0.474 . . . . 73.51 112.056 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -136.13 162.09 33.9 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.405 -0.816 . . . . 71.31 111.073 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.51 127.8 35.54 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.149 -0.478 . . . . 62.43 110.93 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 115.949 -0.568 . . . . 74.42 111.126 -179.819 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.476 -0.249 . . . . 64.33 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -96.37 156.68 16.24 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.382 0.273 . . . . 74.41 110.971 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.5 t -126.78 154.79 43.78 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.894 -0.593 . . . . 71.51 110.639 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.06 129.12 9.3 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.922 -0.581 . . . . 75.32 112.807 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.77 154.36 20.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.71 0.404 . . . . 52.33 111.233 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.81 -2.1 25.93 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.62 -0.718 . . . . 54.0 112.632 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.41 153.03 17.89 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.699 0.4 . . . . 75.51 111.001 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -80.6 122.63 27.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.587 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -110.82 133.17 53.58 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.851 -0.613 . . . . 73.21 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.81 -71.13 0.43 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.922 -0.581 . . . . 70.33 112.74 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.13 -15.19 21.06 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.822 0.304 . . . . 74.14 111.822 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 14' ' ' ARG . 4.0 tp -93.45 164.93 13.0 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.255 0.347 . . . . 73.2 111.066 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 98.8 mtt180 -78.56 -176.33 4.77 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.016 -0.538 . . . . 73.32 111.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt 69.53 145.06 0.05 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.197 0.999 . . . . 74.35 112.069 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -108.74 169.07 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.438 -0.801 . . . . 72.33 110.994 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.414 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -82.55 138.37 34.29 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.99 -0.55 . . . . 64.0 111.628 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.9 -34.72 79.08 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.865 -0.607 . . . . 71.45 112.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -92.86 -28.07 16.74 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.104 -0.498 . . . . 73.13 111.227 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 96.15 38.03 4.7 Favored Glycine 0 C--N 1.34 0.773 0 O-C-N 123.559 0.537 . . . . 74.21 113.278 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -140.37 114.99 9.46 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.038 0.447 . . . . 74.13 111.29 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 m -115.01 120.35 39.56 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.168 -0.924 . . . . 71.24 109.885 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.554 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.32 122.08 26.46 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.194 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 t -88.05 -8.24 55.84 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.518 -0.764 . . . . 72.11 112.083 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.21 -20.04 57.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.449 0.3 . . . . 75.31 111.244 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.5 -1.8 1.84 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.813 -0.63 . . . . 62.53 111.223 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.36 51.88 7.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.787 0.835 . . . . 72.25 111.534 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -140.3 162.15 35.97 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.481 -0.782 . . . . 74.43 111.504 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 126.18 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.872 -0.604 . . . . 73.51 110.868 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 88.1 mttt -133.01 158.24 43.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.031 -0.531 . . . . 71.31 111.293 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.01 143.04 27.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.982 -0.554 . . . . 62.43 110.766 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -93.45 146.59 23.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.117 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 p -99.87 144.52 28.84 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.836 -0.62 . . . . 72.25 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 p -100.73 135.95 41.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.852 -0.613 . . . . 74.22 110.953 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.106 -0.949 . . . . 72.1 111.082 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.491 -0.244 . . . . 64.33 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -96.24 156.73 16.22 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.272 . . . . 74.41 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -107.57 147.35 30.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.016 -0.538 . . . . 71.51 110.257 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 119.45 5.79 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 116.144 -0.48 . . . . 75.32 113.074 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.65 153.95 19.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.721 0.408 . . . . 52.33 111.096 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.64 8.16 21.22 Favored Glycine 0 CA--C 1.523 0.575 0 CA-C-N 115.592 -0.731 . . . . 54.0 112.889 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.89 153.13 19.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.495 0.318 . . . . 75.51 111.067 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.553 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.27 122.65 29.75 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.026 -0.534 . . . . 75.12 110.812 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -107.43 129.03 54.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.892 -0.595 . . . . 73.21 110.865 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.53 -53.24 0.65 Allowed Glycine 0 C--N 1.337 0.618 0 O-C-N 123.596 0.56 . . . . 70.33 112.883 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.14 -20.0 18.28 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.02 0.378 . . . . 74.14 112.02 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 9' ' ' THR . 5.9 mp -92.01 155.77 17.88 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.193 0.308 . . . . 73.2 111.402 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -88.44 -3.73 58.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.779 -0.646 . . . . 73.32 111.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -89.91 129.49 36.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.365 -0.379 . . . . 74.35 110.618 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.58 170.6 9.22 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.639 -0.709 . . . . 72.33 111.195 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.4 m -79.27 139.11 37.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.08 -0.509 . . . . 64.0 111.714 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -57.56 -29.67 64.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.906 -0.588 . . . . 71.45 112.485 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 p -91.86 -27.97 17.61 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.447 0.467 . . . . 73.13 111.411 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.83 36.63 4.96 Favored Glycine 0 C--N 1.34 0.784 0 O-C-N 123.52 0.512 . . . . 74.21 113.198 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 30.3 t80 -141.63 122.14 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.899 0.38 . . . . 74.13 111.082 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.2 m -114.22 123.44 49.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.274 -0.875 . . . . 71.24 110.127 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.55 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -88.19 120.56 29.66 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.136 -0.484 . . . . 63.04 110.647 179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.9 p -85.24 -7.45 59.02 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.539 -0.755 . . . . 72.11 112.484 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -73.97 -25.28 59.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.425 0.29 . . . . 75.31 111.232 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.59 0.58 1.85 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.762 -0.654 . . . . 62.53 111.276 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.17 53.41 6.62 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.758 0.823 . . . . 72.25 111.296 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -137.26 162.33 33.8 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.408 -0.815 . . . . 74.43 111.944 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.95 125.9 32.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.337 -0.847 . . . . 73.51 111.254 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.8 mttt -135.93 159.97 40.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.864 -0.607 . . . . 71.31 110.918 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.59 143.19 27.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.046 -0.524 . . . . 62.43 110.771 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -92.57 139.12 30.9 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.54 0.525 . . . . 74.42 110.824 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.2 m -100.43 142.29 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 72.25 110.945 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -127.78 144.61 51.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.896 -0.593 . . . . 74.22 110.725 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.494 -0.765 . . . . 72.1 111.112 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.459 -0.256 . . . . 64.33 112.459 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.4 m-90 -96.37 148.72 22.48 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.337 0.255 . . . . 74.41 110.991 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -110.02 157.28 19.47 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.929 -0.578 . . . . 71.51 110.705 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.84 138.02 14.89 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 116.064 -0.516 . . . . 75.32 112.868 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.61 159.16 16.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.627 0.371 . . . . 52.33 111.109 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.96 11.48 37.08 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.687 -0.688 . . . . 54.0 112.686 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.86 153.35 19.22 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.643 0.377 . . . . 75.51 111.112 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.14 132.61 36.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.009 -0.541 . . . . 75.12 110.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.74 125.77 42.73 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.81 -124.21 0.7 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.899 -0.592 . . . . 70.33 112.735 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.79 -39.71 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.636 0.257 . . . . 74.14 111.317 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.08 -12.59 37.98 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.354 0.409 . . . . 73.2 111.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -93.37 171.39 8.95 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.415 0.447 . . . . 73.32 111.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.7 155.28 37.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.733 0.413 . . . . 74.35 111.898 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.08 166.38 13.9 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.757 -0.656 . . . . 72.33 111.258 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.5 m -82.04 138.24 34.89 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.072 -0.513 . . . . 64.0 111.317 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -73.15 -16.57 61.44 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.026 -0.534 . . . . 71.45 112.055 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -98.6 -28.25 13.64 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.452 0.47 . . . . 73.13 111.115 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 36.76 5.42 Favored Glycine 0 C--N 1.341 0.841 0 O-C-N 123.552 0.533 . . . . 74.21 113.37 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 28.0 t80 -141.24 119.94 12.54 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.928 0.394 . . . . 74.13 111.192 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.1 m -114.14 120.88 42.01 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.152 -0.931 . . . . 71.24 110.078 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -87.52 121.86 30.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.138 -0.483 . . . . 63.04 110.664 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.8 m -84.06 -7.26 59.44 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.906 0.754 . . . . 72.11 112.453 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -73.37 -24.7 60.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.434 0.294 . . . . 75.31 111.073 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -140.05 0.02 1.71 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.741 -0.663 . . . . 62.53 111.232 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.96 51.9 8.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.842 0.857 . . . . 72.25 111.296 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -139.42 163.17 33.22 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.972 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.45 128.65 34.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.332 -0.849 . . . . 73.51 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.6 mttt -135.93 159.8 40.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.925 -0.58 . . . . 71.31 111.142 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.23 147.64 24.04 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 62.43 110.855 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.523 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 30.2 mmtt -90.76 -42.08 10.89 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.452 0.47 . . . . 74.42 111.422 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.3 m -110.6 141.72 43.42 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.444 0.465 . . . . 72.25 110.853 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.4 m -127.4 -42.35 1.67 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.869 -0.605 . . . . 74.22 111.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.102 -0.952 . . . . 72.1 111.13 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.521 -0.232 . . . . 64.33 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -96.37 153.42 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.329 0.252 . . . . 74.41 111.078 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -130.85 149.62 52.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.898 -0.592 . . . . 71.51 110.165 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.39 148.79 31.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.071 -0.513 . . . . 75.32 113.453 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -90.85 155.38 18.81 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.774 0.43 . . . . 52.33 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.78 12.34 12.89 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.444 -0.798 . . . . 54.0 112.503 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.53 153.37 18.21 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.728 0.411 . . . . 75.51 111.022 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.92 121.9 24.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.052 -0.522 . . . . 75.12 111.001 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 35.8 t -100.83 146.52 27.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.906 -0.588 . . . . 73.21 111.064 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.94 -120.68 0.96 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.672 -0.695 . . . . 70.33 112.178 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.54 84.8 2.82 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.281 0.562 . . . . 74.14 110.502 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.13 164.07 30.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.322 -0.854 . . . . 73.2 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.85 -28.16 28.2 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.507 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 tp -96.01 123.5 39.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.475 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -95.65 154.23 17.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.602 -0.726 . . . . 72.33 110.802 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -81.82 139.12 34.94 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.997 -0.547 . . . . 64.0 112.129 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -5.21 24.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.414 -0.812 . . . . 71.45 112.891 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.0 m -85.51 -28.77 24.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.01 0.374 . . . . 73.13 112.01 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.42 -42.59 3.14 Favored Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.453 -0.403 . . . . 74.21 113.628 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.53 126.12 35.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.95 0.405 . . . . 74.13 111.528 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 m -114.32 126.9 55.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 71.24 110.671 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -93.16 118.62 31.43 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.907 -0.588 . . . . 63.04 110.614 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -86.22 -8.1 58.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.514 -0.766 . . . . 72.11 112.181 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -76.81 -19.98 56.92 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.481 0.312 . . . . 75.31 111.162 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p -138.74 0.89 2.05 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.823 -0.626 . . . . 62.53 111.298 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.54 40.82 23.37 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.81 0.844 . . . . 72.25 111.764 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.1 p -132.26 158.01 42.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.573 -0.739 . . . . 74.43 111.483 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 10' ' ' CYS . 80.5 m -86.48 126.81 34.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.56 -0.745 . . . . 73.51 111.308 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.0 mttt -130.95 167.89 18.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.641 -0.708 . . . . 71.31 110.984 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.42 147.1 24.87 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.134 -0.485 . . . . 62.43 110.742 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -92.07 -39.57 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.544 0.527 . . . . 74.42 111.416 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -95.05 128.73 42.1 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.419 0.45 . . . . 72.25 111.166 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -129.93 147.54 51.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.824 -0.625 . . . . 74.22 110.766 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.518 -0.753 . . . . 72.1 111.125 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.511 -0.236 . . . . 64.33 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -96.35 146.84 24.39 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.614 0.243 . . . . 74.41 110.913 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 95.2 m -118.38 148.26 42.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.028 -0.533 . . . . 71.51 111.088 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 156.49 23.09 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.632 -0.713 . . . . 75.32 112.508 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.81 158.63 21.63 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 119.13 -0.462 . . . . 52.33 110.984 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.86 11.81 13.62 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.409 -0.814 . . . . 54.0 112.454 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -93.13 152.87 18.99 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 122.788 0.435 . . . . 75.51 110.792 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 126.45 30.79 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.37 0.419 . . . . 75.12 111.544 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.8 t -117.49 126.55 52.8 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.641 -0.709 . . . . 73.21 110.588 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.72 -49.46 0.14 Allowed Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.96 -0.564 . . . . 70.33 112.521 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.96 157.69 16.2 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.504 0.322 . . . . 74.14 110.949 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -88.13 93.52 9.52 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.21 0.528 . . . . 73.2 111.282 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -143.34 -46.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.29 -0.868 . . . . 73.32 110.527 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 16' ' ' TYR . 2.3 tt -133.7 142.76 48.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.244 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 91.5 m-85 -105.48 132.67 51.35 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.621 0.575 . . . . 72.33 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.56 138.0 31.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 64.0 111.219 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.77 -2.74 31.23 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.919 -0.582 . . . . 71.45 112.561 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' HA ' ' A' ' 31' ' ' ASP . 13.6 t -90.23 -29.13 18.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.642 -0.253 . . . . 73.13 111.352 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 -32.58 3.05 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 114.073 0.389 . . . . 74.21 114.073 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.22 120.4 32.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.049 0.452 . . . . 74.13 111.838 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -114.93 123.93 50.39 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.124 -0.943 . . . . 71.24 110.044 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.561 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.81 121.99 28.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.13 -0.486 . . . . 63.04 111.101 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.2 m -88.08 -9.93 51.74 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.537 -0.756 . . . . 72.11 112.116 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.21 -19.89 57.98 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.537 0.335 . . . . 75.31 111.187 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -138.1 -1.69 1.93 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 62.53 111.321 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.04 49.28 11.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.85 0.86 . . . . 72.25 111.559 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.1 p -139.45 157.8 45.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.393 -0.821 . . . . 74.43 111.736 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.18 125.02 30.42 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.224 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.561 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.8 mttt -131.86 161.85 32.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.719 -0.673 . . . . 71.31 111.258 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 8.1 m-20 -88.52 142.75 27.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.984 -0.553 . . . . 62.43 110.768 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -93.99 145.1 24.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.093 -0.503 . . . . 74.42 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.7 t -128.07 -43.26 1.5 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.839 -0.619 . . . . 72.25 111.033 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -101.92 140.29 36.4 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.426 0.454 . . . . 74.22 110.754 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.153 -0.927 . . . . 72.1 111.09 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.49 -0.244 . . . . 64.33 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -96.35 134.74 39.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.337 0.255 . . . . 74.41 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -101.56 136.91 40.6 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.862 -0.608 . . . . 71.51 110.595 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.69 143.61 16.83 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.936 -0.575 . . . . 75.32 112.931 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.96 159.5 23.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 122.793 0.437 . . . . 52.33 111.193 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.88 12.61 23.8 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.523 -0.762 . . . . 54.0 112.597 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 153.3 17.77 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.697 0.399 . . . . 75.51 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -81.26 137.7 35.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.819 -0.628 . . . . 75.12 110.99 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 86.4 m -95.69 152.87 18.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.928 -0.578 . . . . 73.21 111.354 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.86 -160.11 33.45 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.807 -0.633 . . . . 70.33 112.722 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -97.56 -44.31 6.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.374 0.27 . . . . 74.14 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.55 -3.49 54.98 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.367 0.417 . . . . 73.2 111.326 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -92.45 172.49 8.35 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.849 -0.614 . . . . 73.32 110.956 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -75.92 152.9 36.99 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.399 -0.364 . . . . 74.35 111.56 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' H ' HD23 ' A' ' 15' ' ' LEU . 88.5 m-85 -83.26 159.88 21.86 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.893 -0.594 . . . . 72.33 111.459 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 58.1 m -93.28 138.57 31.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.818 -0.628 . . . . 64.0 111.334 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.52 -14.8 61.28 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.589 0.556 . . . . 71.45 112.119 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.6 m -94.81 -28.4 15.27 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 73.13 111.595 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.71 -22.28 40.04 Favored Glycine 0 C--N 1.34 0.798 0 O-C-N 123.448 0.467 . . . . 74.21 113.603 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 31.3 t80 -95.38 123.01 38.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.986 0.422 . . . . 74.13 111.558 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.6 m -114.44 124.78 52.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.135 -0.939 . . . . 71.24 110.321 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.79 125.23 35.23 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.429 179.295 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -82.87 -7.21 59.68 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.044 0.84 . . . . 72.11 112.405 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -71.05 -27.57 63.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.438 0.295 . . . . 75.31 111.196 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -140.54 1.23 1.73 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.682 -0.69 . . . . 62.53 111.248 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.74 52.98 7.52 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.808 0.843 . . . . 72.25 111.139 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -139.04 166.57 24.15 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.444 -0.798 . . . . 74.43 112.176 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.73 130.9 35.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.32 -0.854 . . . . 73.51 111.358 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 78.2 mttt -139.66 157.65 45.42 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.495 0.497 . . . . 71.31 111.239 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.87 147.39 23.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.791 -0.64 . . . . 62.43 110.78 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -93.34 -42.35 9.35 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.42 0.45 . . . . 74.42 111.383 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -101.7 139.81 36.84 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.39 0.431 . . . . 72.25 110.975 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -127.38 -42.91 1.64 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.974 -0.557 . . . . 74.22 111.108 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.568 -0.73 . . . . 72.1 111.027 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.554 -0.218 . . . . 64.33 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -96.31 151.82 19.17 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.328 0.251 . . . . 74.41 110.92 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.96 151.71 33.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.959 -0.564 . . . . 71.51 110.412 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.81 137.48 14.84 Favored Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.812 -0.631 . . . . 75.32 112.819 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -87.99 159.09 18.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 119.261 -0.4 . . . . 52.33 111.243 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.28 12.58 15.05 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.58 -0.736 . . . . 54.0 112.68 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . . . -91.46 153.03 20.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.638 0.375 . . . . 75.51 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 134.69 34.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.973 -0.558 . . . . 75.12 110.997 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.7 m -102.53 127.59 49.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.593 . . . . 73.21 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.12 -33.79 5.8 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.904 -0.589 . . . . 70.33 113.259 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.23 -39.02 12.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.826 0.306 . . . . 74.14 111.826 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.59 154.32 17.43 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.316 0.385 . . . . 73.2 111.264 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.96 -8.85 53.35 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.842 -0.617 . . . . 73.32 111.814 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -90.48 136.6 32.96 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.724 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -92.2 153.72 19.12 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.604 -0.725 . . . . 72.33 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 8' ' ' ALA . 55.4 m -89.59 139.45 30.53 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.987 -0.552 . . . . 64.0 111.754 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -56.22 -19.83 15.54 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.571 0.952 . . . . 71.45 113.571 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -83.22 -29.06 28.8 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.931 0.345 . . . . 73.13 111.931 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.09 -27.57 4.44 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -89.33 121.46 31.62 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.976 0.417 . . . . 74.13 111.666 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.48 123.37 49.23 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.137 -0.938 . . . . 71.24 110.25 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.13 124.77 34.64 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.005 -0.543 . . . . 63.04 110.908 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.38 -9.56 58.32 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.486 -0.779 . . . . 72.11 112.318 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -73.26 -21.96 60.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.47 0.308 . . . . 75.31 111.059 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -139.39 -0.32 1.8 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.674 -0.694 . . . . 62.53 111.137 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 57.8 42.07 23.96 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.849 0.86 . . . . 72.25 111.562 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.7 p -136.12 162.81 31.88 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.559 -0.746 . . . . 74.43 111.69 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 42.0 m -80.81 131.76 35.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.501 -0.772 . . . . 73.51 111.76 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 84.6 mttt -133.85 161.34 35.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.713 -0.676 . . . . 71.31 110.833 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.73 130.3 35.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.023 -0.535 . . . . 62.43 110.802 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -93.29 126.06 38.21 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 74.42 110.714 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -129.93 147.27 51.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.599 . . . . 72.25 111.034 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -108.16 135.48 49.44 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.84 -0.618 . . . . 74.22 110.897 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.096 -0.954 . . . . 72.1 111.114 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.453 -0.259 . . . . 64.33 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -96.24 130.57 43.28 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.322 0.249 . . . . 74.41 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 71.0 m -107.85 147.45 30.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.984 -0.553 . . . . 71.51 110.925 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.28 -174.15 31.38 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.676 -0.693 . . . . 75.32 112.755 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.82 155.06 16.97 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 119.328 -0.368 . . . . 52.33 110.65 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.63 12.67 16.14 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.298 -0.865 . . . . 54.0 112.25 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -86.04 153.19 22.3 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.969 0.508 . . . . 75.51 111.339 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.077 -0.51 . . . . 75.12 111.301 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.7 t -111.32 144.69 40.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.79 -0.641 . . . . 73.21 110.794 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.51 -140.74 4.68 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.646 0.591 . . . . 70.33 112.567 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.15 -40.76 9.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.417 0.287 . . . . 74.14 111.565 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.6 -9.88 53.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.712 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.56 166.16 12.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.975 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.91 168.67 19.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.24 -0.436 . . . . 74.35 111.557 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.618 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 10.6 t80 -90.12 145.67 24.87 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.312 -0.404 . . . . 72.33 110.797 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.9 m -98.82 139.06 35.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.849 -0.614 . . . . 64.0 111.256 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 m -72.1 -2.44 18.53 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.758 0.651 . . . . 71.45 112.758 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -84.56 -28.71 26.42 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.304 0.242 . . . . 73.13 111.544 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.65 15.71 72.63 Favored Glycine 0 C--N 1.343 0.929 0 O-C-N 123.485 0.491 . . . . 74.21 114.236 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 33.7 t80 -135.22 113.69 11.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 117.175 0.487 . . . . 74.13 111.507 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 108.97 17.1 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.088 -0.96 . . . . 71.24 109.928 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.21 120.53 21.62 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.187 -0.46 . . . . 63.04 111.084 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.5 m -85.67 -7.39 58.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.561 -0.745 . . . . 72.11 112.374 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -77.44 -23.64 50.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.476 0.311 . . . . 75.31 111.19 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -139.03 1.27 2.02 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.358 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.5 mttt 58.28 47.58 13.88 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.781 0.832 . . . . 72.25 111.475 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.7 p -139.58 153.96 47.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.594 -0.73 . . . . 74.43 111.814 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.91 133.44 34.72 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.414 -0.812 . . . . 73.51 111.335 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.5 170.75 15.55 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.568 0.542 . . . . 71.31 111.182 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.82 154.03 20.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.082 -0.508 . . . . 62.43 110.71 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.5 149.28 22.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.209 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 t -127.61 129.61 47.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.668 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -108.56 146.36 33.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.901 -0.591 . . . . 74.22 110.845 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.138 -0.934 . . . . 72.1 111.099 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.544 -0.222 . . . . 64.33 112.544 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -96.3 147.33 23.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.375 0.27 . . . . 74.41 111.004 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -100.11 146.72 26.47 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.901 -0.59 . . . . 71.51 110.631 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 125.16 8.38 Favored Glycine 0 C--N 1.338 0.649 0 O-C-N 123.574 0.546 . . . . 75.32 112.838 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.49 158.88 16.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 122.648 0.379 . . . . 52.33 110.938 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.71 -3.0 26.06 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.709 -0.678 . . . . 54.0 112.868 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.97 151.96 19.18 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.423 0.289 . . . . 75.51 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.06 123.71 32.43 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.898 -0.592 . . . . 75.12 110.891 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.7 p -121.84 122.59 39.8 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.575 0.547 . . . . 73.21 111.063 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.45 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.556 -0.747 . . . . 70.33 112.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -94.99 165.6 12.36 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.531 0.332 . . . . 74.14 110.566 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.4 89.77 6.14 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.407 0.622 . . . . 73.2 111.341 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.17 -46.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.201 -0.909 . . . . 73.32 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -132.22 149.21 52.43 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.56 0.537 . . . . 74.35 110.612 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' H ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -108.54 160.06 16.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.004 -0.544 . . . . 72.33 111.139 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -80.49 138.38 36.56 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.693 -0.685 . . . . 64.0 111.389 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.82 -36.32 82.11 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.032 -0.531 . . . . 71.45 112.178 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -96.42 -27.99 14.65 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.457 0.473 . . . . 73.13 111.05 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.418 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.47 32.58 5.97 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 116.096 -0.502 . . . . 74.21 113.05 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -141.71 119.99 12.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.779 0.323 . . . . 74.13 110.97 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.04 124.98 52.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.526 -0.761 . . . . 71.24 110.161 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.562 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -82.12 123.77 29.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.12 -0.491 . . . . 63.04 110.988 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 t -85.66 -7.49 58.78 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.946 0.779 . . . . 72.11 112.124 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.88 -22.51 56.07 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.496 0.318 . . . . 75.31 111.128 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.45 -1.47 1.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.784 -0.644 . . . . 62.53 111.224 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.3 51.73 8.08 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.867 0.867 . . . . 72.25 111.332 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 p -134.74 161.28 35.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.494 -0.775 . . . . 74.43 111.919 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 122.2 28.48 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.659 -0.7 . . . . 73.51 110.87 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 85.5 mttt -130.16 165.9 21.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.95 -0.568 . . . . 71.31 111.233 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.56 144.49 26.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.079 -0.509 . . . . 62.43 110.845 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -96.3 -43.28 7.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.017 -0.538 . . . . 74.42 111.108 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.3 m -121.22 142.78 49.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.926 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m -127.61 -42.13 1.65 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.857 -0.61 . . . . 74.22 111.274 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.539 -0.743 . . . . 72.1 111.119 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.501 -0.24 . . . . 64.33 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -96.34 151.92 19.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.343 0.257 . . . . 74.41 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.41 130.35 49.16 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.962 -0.563 . . . . 71.51 109.784 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 119.86 5.1 Favored Glycine 0 C--N 1.338 0.66 0 O-C-N 123.548 0.53 . . . . 75.32 113.343 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -93.32 155.24 17.52 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.851 0.46 . . . . 52.33 111.072 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.28 3.96 29.16 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-N 115.644 -0.707 . . . . 54.0 112.767 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.25 18.86 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 122.617 0.367 . . . . 75.51 111.037 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 117.03 22.83 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.041 -0.527 . . . . 75.12 110.919 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.68 121.63 43.98 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.821 -0.627 . . . . 73.21 110.777 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.4 -100.04 2.64 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.797 -0.638 . . . . 70.33 112.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -125.15 -54.0 1.61 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.654 0.267 . . . . 74.14 110.553 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.33 90.79 2.13 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.071 0.462 . . . . 73.2 110.877 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.64 -59.44 0.37 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.638 -0.71 . . . . 73.32 110.352 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -147.88 143.47 27.43 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.442 0.464 . . . . 74.35 110.008 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.67 158.2 15.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.824 -0.625 . . . . 72.33 111.215 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.519 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -85.8 138.47 32.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.827 -0.624 . . . . 64.0 111.658 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.98 69.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.875 -0.602 . . . . 71.45 111.935 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 p -99.15 -28.22 13.46 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.535 . . . . 73.13 111.0 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.519 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.91 45.9 2.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 116.069 -0.514 . . . . 74.21 113.321 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 26.1 t80 -145.91 113.91 6.53 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.064 0.459 . . . . 74.13 111.439 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.45 113.85 24.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.331 -0.85 . . . . 71.24 109.931 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.92 118.81 21.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.238 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 t -89.37 -9.34 50.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.508 -0.769 . . . . 72.11 111.906 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.68 -26.61 45.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.509 0.324 . . . . 75.31 111.042 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -128.98 -1.82 5.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.806 -0.634 . . . . 62.53 111.151 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.42 48.12 12.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.874 0.87 . . . . 72.25 111.571 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.11 157.34 45.43 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.56 -0.746 . . . . 74.43 111.589 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 130.36 34.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.836 -0.62 . . . . 73.51 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 89.9 mttt -137.57 169.63 17.46 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.368 0.418 . . . . 71.31 111.142 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 159.25 17.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.081 -0.508 . . . . 62.43 110.737 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -86.45 -42.34 13.67 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.419 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 m -114.23 150.38 34.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.925 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.3 m -97.81 -42.09 7.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.858 -0.61 . . . . 74.22 111.368 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.138 -0.934 . . . . 72.1 111.053 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.491 -0.244 . . . . 64.33 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -96.35 131.32 43.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.317 0.247 . . . . 74.41 110.968 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -119.37 155.54 31.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.986 -0.552 . . . . 71.51 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' HD21 ' A' ' 15' ' ' LEU . . . -90.49 145.42 17.99 Favored Glycine 0 C--N 1.34 0.758 0 CA-C-N 116.008 -0.542 . . . . 75.32 113.075 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.95 159.64 15.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 119.179 -0.438 . . . . 52.33 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 10.28 37.34 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.572 -0.74 . . . . 54.0 112.715 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.0 153.64 19.03 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.608 0.363 . . . . 75.51 111.07 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.13 122.81 26.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.969 -0.559 . . . . 75.12 110.997 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -102.39 148.27 25.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.885 -0.598 . . . . 73.21 111.047 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.09 -142.73 4.8 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.855 -0.612 . . . . 70.33 112.61 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.75 -43.96 6.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.398 0.279 . . . . 74.14 111.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.98 -4.25 53.01 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.364 0.415 . . . . 73.2 111.467 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 9' ' ' THR . 35.6 mtm180 -91.76 174.82 7.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.998 -0.546 . . . . 73.32 110.962 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -71.84 155.42 40.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.746 0.418 . . . . 74.35 111.759 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' H ' HD23 ' A' ' 15' ' ' LEU . 89.5 m-85 -83.69 162.84 20.58 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.911 -0.586 . . . . 72.33 111.853 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 138.64 31.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.656 -0.702 . . . . 64.0 111.505 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.7 -30.33 64.13 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.898 -0.592 . . . . 71.45 111.984 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 m -92.73 -28.11 16.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.309 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.75 30.38 6.84 Favored Glycine 0 C--N 1.339 0.743 0 O-C-N 123.486 0.491 . . . . 74.21 113.363 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -139.71 115.3 10.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.001 0.429 . . . . 74.13 111.268 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.0 m -114.74 120.74 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.25 -0.886 . . . . 71.24 109.911 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.57 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.89 120.46 24.74 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.103 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -85.44 -9.79 57.03 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.368 -0.833 . . . . 72.11 112.331 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -74.42 -20.44 60.04 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.165 0.29 . . . . 75.31 111.144 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.47 -1.2 1.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.726 -0.67 . . . . 62.53 111.221 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.29 45.31 17.28 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.848 0.859 . . . . 72.25 111.543 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -131.03 161.32 32.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.499 -0.773 . . . . 74.43 111.598 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 126.16 33.39 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.753 -0.658 . . . . 73.51 111.031 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.1 mttt -133.66 160.63 36.95 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.954 -0.566 . . . . 71.31 111.127 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.44 143.46 26.97 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.028 -0.533 . . . . 62.43 110.835 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -94.48 -43.41 8.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.009 -0.541 . . . . 74.42 111.079 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.8 p -105.77 145.59 30.94 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.332 0.395 . . . . 72.25 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -127.48 -42.69 1.63 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.84 -0.618 . . . . 74.22 111.224 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.943 0.897 . . . . 72.1 112.256 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.54 -0.224 . . . . 64.33 112.54 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -96.23 140.83 30.35 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.384 0.273 . . . . 74.41 111.065 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.36 134.06 45.0 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.626 0.579 . . . . 71.51 110.571 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.81 136.9 13.29 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.588 0.555 . . . . 75.32 113.043 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.63 158.94 16.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 119.23 -0.414 . . . . 52.33 111.017 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.16 9.39 36.72 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.653 -0.703 . . . . 54.0 112.725 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.04 153.26 19.36 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.564 0.346 . . . . 75.51 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -83.89 122.63 28.98 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 75.12 110.727 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.96 150.33 22.99 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.902 -0.59 . . . . 73.21 111.299 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.99 -135.41 2.18 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 115.818 -0.628 . . . . 70.33 112.455 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -103.02 -46.25 4.71 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.277 0.231 . . . . 74.14 111.149 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.54 3.74 50.54 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.384 0.427 . . . . 73.2 111.25 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 9' ' ' THR . 73.1 mtt180 -91.69 177.09 6.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.025 -0.534 . . . . 73.32 111.156 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -71.14 152.98 42.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 122.789 0.436 . . . . 74.35 111.727 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -81.79 160.52 23.54 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.851 -0.613 . . . . 72.33 111.386 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 138.63 31.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.776 -0.647 . . . . 64.0 111.768 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 m -69.53 -34.8 74.76 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.781 -0.645 . . . . 71.45 112.089 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -92.33 -28.11 17.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.239 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 31.32 6.26 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.418 0.449 . . . . 74.21 113.309 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.69 116.73 11.7 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.988 0.423 . . . . 74.13 111.061 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.5 m -114.48 121.89 44.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.302 -0.863 . . . . 71.24 110.09 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.569 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -82.36 120.77 25.84 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 116.2 -0.455 . . . . 63.04 111.032 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -84.68 -7.38 59.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.431 -0.804 . . . . 72.11 112.347 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -72.91 -24.83 60.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.455 0.302 . . . . 75.31 111.142 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.72 1.39 1.9 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.737 -0.665 . . . . 62.53 111.231 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.38 46.72 14.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.876 0.87 . . . . 72.25 111.431 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -128.52 161.67 29.03 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.4 -0.818 . . . . 74.43 111.629 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 125.43 33.51 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.731 -0.668 . . . . 73.51 111.018 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.569 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.6 mttt -133.66 159.9 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.87 -0.604 . . . . 71.31 111.06 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.5 143.51 26.93 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.039 -0.528 . . . . 62.43 110.871 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -93.28 -42.47 9.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.046 -0.525 . . . . 74.42 111.171 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 p -99.73 142.08 31.69 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.401 0.438 . . . . 72.25 110.997 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -127.38 -42.7 1.65 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.838 -0.619 . . . . 74.22 111.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 123.876 0.87 . . . . 72.1 112.237 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.509 -0.236 . . . . 64.33 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -96.33 148.57 22.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.38 0.272 . . . . 74.41 110.993 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.5 127.73 46.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.877 -0.601 . . . . 71.51 110.637 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.47 141.01 15.37 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.931 -0.577 . . . . 75.32 112.692 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.56 159.13 25.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.826 0.45 . . . . 52.33 111.356 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.79 12.46 12.66 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.483 -0.781 . . . . 54.0 112.463 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -88.68 152.96 21.48 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 122.758 0.423 . . . . 75.51 110.934 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 131.58 35.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.545 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -107.95 150.36 27.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.64 -0.709 . . . . 73.21 110.792 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.96 -57.15 0.45 Allowed Glycine 0 C--N 1.337 0.593 0 O-C-N 123.563 0.539 . . . . 70.33 112.59 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -96.28 153.34 17.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.385 0.274 . . . . 74.14 110.956 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.74 94.85 9.21 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.244 0.545 . . . . 73.2 110.681 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -143.0 -41.91 0.31 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.422 -0.808 . . . . 73.32 110.892 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.4 tt -125.99 144.49 50.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.087 -0.506 . . . . 74.35 110.52 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.483 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.7 t80 -95.18 133.25 39.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 72.33 110.271 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.37 138.52 37.7 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.965 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.38 -28.87 65.44 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.603 -0.726 . . . . 71.45 112.453 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t -91.71 -28.65 17.3 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.364 0.415 . . . . 73.13 111.679 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.16 -27.98 7.1 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 123.333 0.396 . . . . 74.21 113.688 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -90.12 120.53 31.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.969 0.414 . . . . 74.13 111.461 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.11 122.38 47.39 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.931 . . . . 71.24 110.585 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.81 120.94 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.819 -0.628 . . . . 63.04 110.824 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 p -85.48 -9.33 57.6 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.41 -0.813 . . . . 72.11 112.259 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -76.2 -19.92 57.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.523 0.329 . . . . 75.31 111.134 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -136.05 -0.47 2.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.736 -0.665 . . . . 62.53 111.232 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.57 39.32 24.89 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.78 0.832 . . . . 72.25 111.769 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.4 p -139.09 160.7 39.16 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.604 -0.725 . . . . 74.43 111.323 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 134.74 34.21 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.116 -0.493 . . . . 73.51 111.558 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 89.9 mttt -132.91 163.86 28.22 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.494 -0.775 . . . . 71.31 110.968 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.6 128.23 35.57 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.777 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -93.37 141.93 27.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.035 -0.53 . . . . 74.42 110.847 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -127.69 133.93 49.59 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.858 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.3 m -127.74 142.08 51.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.82 -0.627 . . . . 74.22 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.183 -0.913 . . . . 72.1 111.173 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.533 -0.227 . . . . 64.33 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.31 154.42 17.27 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.361 0.264 . . . . 74.41 111.053 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 t -125.47 155.52 40.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.908 -0.587 . . . . 71.51 110.762 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 169.83 31.56 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 115.816 -0.629 . . . . 75.32 112.939 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.8 159.86 15.2 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.182 -0.437 . . . . 52.33 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.25 13.04 37.25 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.684 -0.689 . . . . 54.0 112.251 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 153.64 22.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.073 0.549 . . . . 75.51 111.694 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m -77.07 125.44 29.32 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.727 -0.669 . . . . 75.12 111.048 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.2 m -96.84 152.62 18.51 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 73.21 111.401 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.23 -152.57 12.94 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.84 -0.618 . . . . 70.33 112.532 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -101.53 -44.55 5.56 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.607 0.239 . . . . 74.14 111.218 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.67 0.9 56.68 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.374 0.421 . . . . 73.2 111.397 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -92.52 173.25 7.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.089 -0.505 . . . . 73.32 111.214 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -71.97 158.51 35.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.827 0.451 . . . . 74.35 111.845 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.506 ' H ' HD23 ' A' ' 15' ' ' LEU . 87.8 m-85 -75.64 153.44 37.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.066 -0.515 . . . . 72.33 111.778 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -97.81 138.33 35.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.68 -0.691 . . . . 64.0 111.709 -179.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.18 -19.01 30.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.676 -0.693 . . . . 71.45 111.956 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -86.37 -28.44 23.61 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.964 0.357 . . . . 73.13 111.964 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.02 -39.53 2.91 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 121.366 -0.445 . . . . 74.21 113.439 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 40.6 t80 -92.08 116.86 29.3 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.074 0.464 . . . . 74.13 111.674 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.0 m -114.55 120.22 39.45 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.003 -0.999 . . . . 71.24 109.984 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.2 127.94 33.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.007 -0.542 . . . . 63.04 110.831 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.7 m -83.9 -9.23 58.88 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.941 0.776 . . . . 72.11 112.352 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.0 -22.8 60.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.472 0.309 . . . . 75.31 111.081 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -139.43 -1.01 1.73 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.598 -0.728 . . . . 62.53 111.153 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.8 mttt 57.16 46.6 18.65 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.867 0.867 . . . . 72.25 111.513 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -140.92 163.94 31.6 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.633 -0.712 . . . . 74.43 111.956 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 132.71 38.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.855 -0.611 . . . . 73.51 111.872 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' HD2' ' A' ' 21' ' ' PHE . 23.4 mttm -136.24 161.98 34.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.477 -0.783 . . . . 71.31 110.934 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.55 142.88 27.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.088 -0.505 . . . . 62.43 111.0 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -94.67 -41.66 9.17 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.069 -0.514 . . . . 74.42 111.075 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -99.94 137.72 38.01 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.398 0.436 . . . . 72.25 110.914 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -100.86 145.31 28.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.947 -0.57 . . . . 74.22 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.549 -0.739 . . . . 72.1 111.097 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.548 -0.221 . . . . 64.33 112.548 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -96.32 144.08 26.81 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.343 0.257 . . . . 74.41 110.917 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 t -113.15 146.91 38.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.058 -0.519 . . . . 71.51 110.755 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.93 136.81 13.7 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.855 -0.611 . . . . 75.32 112.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -84.43 154.85 22.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.78 0.432 . . . . 52.33 111.314 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.72 9.67 18.4 Favored Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.463 -0.789 . . . . 54.0 112.427 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.81 153.21 18.41 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.827 0.451 . . . . 75.51 110.892 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.72 121.62 22.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 75.12 111.345 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.73 128.92 53.98 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.687 -0.688 . . . . 73.21 110.767 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.28 -47.42 0.23 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.871 -0.604 . . . . 70.33 112.645 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.34 152.8 18.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.507 0.323 . . . . 74.14 110.889 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tt -93.31 94.18 8.61 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.18 0.514 . . . . 73.2 110.713 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -144.7 -43.56 0.24 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.483 -0.781 . . . . 73.32 110.892 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD21 ' H ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -130.48 149.11 52.3 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.493 0.496 . . . . 74.35 110.772 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' H ' HD21 ' A' ' 15' ' ' LEU . 9.9 t80 -93.06 152.47 19.26 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.042 -0.526 . . . . 72.33 110.843 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.83 138.76 33.02 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.851 -0.613 . . . . 64.0 111.408 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.57 -28.21 60.83 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.833 -0.621 . . . . 71.45 112.298 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 p -93.07 -28.85 16.1 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.266 0.354 . . . . 73.13 111.925 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.9 -20.35 20.54 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 121.543 -0.36 . . . . 74.21 113.82 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -90.58 122.56 33.49 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.948 0.404 . . . . 74.13 111.404 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 m -114.15 121.63 44.35 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.214 -0.903 . . . . 71.24 110.568 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.5 122.82 33.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.838 -0.619 . . . . 63.04 110.793 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -86.12 -7.33 58.66 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.568 -0.742 . . . . 72.11 112.361 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -75.47 -21.81 57.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.486 0.314 . . . . 75.31 111.188 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.85 0.25 1.97 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.762 -0.654 . . . . 62.53 111.263 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.3 45.88 16.4 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.829 0.852 . . . . 72.25 111.566 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 p -140.07 160.3 40.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.411 -0.813 . . . . 74.43 111.337 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 130.95 34.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.226 -0.443 . . . . 73.51 111.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -130.89 162.8 28.85 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.486 -0.779 . . . . 71.31 111.145 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.31 124.94 34.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.999 -0.546 . . . . 62.43 110.589 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -92.54 -45.52 8.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.119 -0.492 . . . . 74.42 111.541 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 m -101.73 136.91 40.78 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 m -102.13 144.27 30.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.928 -0.578 . . . . 74.22 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.131 -0.937 . . . . 72.1 111.107 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.479 -0.248 . . . . 64.33 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -96.24 152.81 18.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.336 0.255 . . . . 74.41 111.158 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -101.91 126.13 48.75 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.896 -0.593 . . . . 71.51 109.692 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.56 4.65 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 116.054 -0.521 . . . . 75.32 113.287 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.09 154.95 17.8 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.797 0.439 . . . . 52.33 111.008 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.72 8.18 21.05 Favored Glycine 0 C--N 1.337 0.593 0 CA-C-N 115.622 -0.717 . . . . 54.0 112.755 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.8 153.4 19.16 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.603 0.361 . . . . 75.51 110.978 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 119.88 24.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.985 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -107.13 116.06 31.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.742 -0.663 . . . . 73.21 110.599 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.76 -49.46 0.57 Allowed Glycine 0 C--N 1.338 0.657 0 CA-C-N 115.927 -0.579 . . . . 70.33 112.951 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.38 -40.88 11.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.366 0.266 . . . . 74.14 111.646 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.08 147.7 22.63 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.384 0.427 . . . . 73.2 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -95.16 85.33 4.28 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.311 0.577 . . . . 73.32 111.105 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -144.83 139.51 27.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.316 -0.856 . . . . 74.35 110.025 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -94.46 157.02 16.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.75 -0.659 . . . . 72.33 111.208 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -83.9 138.59 33.09 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.702 -0.681 . . . . 64.0 111.714 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.2 -31.9 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.793 -0.639 . . . . 71.45 112.007 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 p -96.89 -28.07 14.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.038 -0.528 . . . . 73.13 111.083 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 100.84 45.5 1.91 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.051 -0.522 . . . . 74.21 113.334 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.578 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.0 t80 -143.46 113.69 7.34 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.065 0.46 . . . . 74.13 111.428 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.4 111.12 20.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.262 -0.881 . . . . 71.24 109.801 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -77.79 119.64 21.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.949 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -84.42 -35.62 22.96 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.06 0.763 . . . . 72.11 113.06 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -37.8 82.97 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.58 0.229 . . . . 75.31 111.197 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 23' ' ' ASP . 71.2 p -98.32 -10.99 23.02 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.774 -0.648 . . . . 62.53 111.146 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 57.1 43.34 24.37 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 72.25 111.796 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -145.18 160.86 40.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.567 -0.742 . . . . 74.43 111.452 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 131.86 34.32 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.931 -0.577 . . . . 73.51 111.05 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.46 175.0 9.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.946 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -88.8 151.4 22.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.795 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -92.73 -42.54 9.53 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.073 -0.512 . . . . 74.42 111.028 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -99.58 143.38 29.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.94 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -99.58 -42.96 6.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.929 -0.578 . . . . 74.22 111.138 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.132 -0.937 . . . . 72.1 111.104 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.459 -0.256 . . . . 64.33 112.459 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.29 149.3 21.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.617 0.245 . . . . 74.41 110.979 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 34.7 t -129.07 140.68 51.49 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.889 -0.596 . . . . 71.51 110.668 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.02 170.97 22.12 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 115.652 -0.704 . . . . 75.32 112.503 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.79 158.56 16.27 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.133 -0.461 . . . . 52.33 110.763 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.0 12.51 15.73 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.421 -0.809 . . . . 54.0 112.434 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.57 153.07 20.61 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.771 0.428 . . . . 75.51 110.991 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -80.08 134.01 36.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.932 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.7 t -104.39 145.11 30.73 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.869 -0.605 . . . . 73.21 111.039 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.37 -152.06 6.35 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.799 -0.637 . . . . 70.33 112.534 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.55 -41.25 6.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.275 0.23 . . . . 74.14 111.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.36 6.21 47.76 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 123.342 0.401 . . . . 73.2 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 9' ' ' THR . 75.9 mtt180 -92.99 171.56 8.87 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.115 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.84 170.48 15.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.868 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 88.3 m-85 -90.99 153.02 20.46 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.145 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.2 m -104.68 139.4 39.56 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 64.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.2 m -52.8 -31.36 38.27 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.463 0.912 . . . . 71.45 113.463 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -85.46 -29.04 24.63 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.867 0.321 . . . . 73.13 111.867 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.31 24.72 67.67 Favored Glycine 0 C--N 1.342 0.868 0 O-C-N 123.382 0.427 . . . . 74.21 113.971 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -127.99 120.04 26.73 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.99 0.424 . . . . 74.13 110.969 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.5 m -114.19 119.69 37.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.176 -0.92 . . . . 71.24 110.373 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.16 123.51 32.27 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.905 -0.589 . . . . 63.04 110.767 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.31 -7.47 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.509 -0.769 . . . . 72.11 112.449 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -73.47 -24.26 60.18 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.456 0.302 . . . . 75.31 111.108 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -139.96 1.33 1.85 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.685 -0.688 . . . . 62.53 111.169 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 tttt 57.91 44.03 20.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.898 0.879 . . . . 72.25 111.248 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -135.95 160.1 39.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.529 -0.759 . . . . 74.43 111.691 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 m -82.06 130.92 35.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.45 -0.795 . . . . 73.51 111.701 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -132.76 163.29 29.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.463 -0.79 . . . . 71.31 110.933 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.58 125.44 34.8 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.166 -0.47 . . . . 62.43 110.862 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -96.87 144.07 27.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.885 -0.598 . . . . 74.42 110.728 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -127.85 144.45 51.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.912 -0.585 . . . . 72.25 110.701 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 p -124.89 134.92 52.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.959 -0.564 . . . . 74.22 110.983 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.521 -0.752 . . . . 72.1 111.106 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.484 -0.247 . . . . 64.33 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -96.4 154.4 17.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.301 0.24 . . . . 74.41 110.953 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -115.98 142.86 46.22 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.023 -0.535 . . . . 71.51 110.308 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.43 132.8 11.39 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.99 -0.55 . . . . 75.32 112.861 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -87.58 159.43 18.58 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.674 0.389 . . . . 52.33 111.263 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.56 12.69 12.66 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 115.599 -0.728 . . . . 54.0 112.729 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.82 152.79 21.1 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.632 0.373 . . . . 75.51 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 140.67 29.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.029 -0.532 . . . . 75.12 111.146 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 75.3 m -108.05 148.45 29.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 73.21 110.877 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.72 -61.06 0.28 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.875 -0.602 . . . . 70.33 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -98.15 153.31 18.54 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.686 0.286 . . . . 74.14 110.871 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.47 99.18 11.71 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.079 -0.51 . . . . 73.2 111.174 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -142.8 -47.71 0.32 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.424 -0.807 . . . . 73.32 110.532 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -135.66 137.33 41.72 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 116.015 -0.539 . . . . 74.35 110.241 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -94.89 153.89 17.48 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.676 -0.693 . . . . 72.33 110.768 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.5 m -90.16 139.12 30.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.968 -0.56 . . . . 64.0 111.416 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.8 m -56.19 -26.35 50.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.195 0.813 . . . . 71.45 113.195 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -91.11 -29.01 17.54 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.068 0.23 . . . . 73.13 111.606 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.78 51.36 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 20.7 t80 -136.9 121.05 17.85 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.892 0.377 . . . . 74.13 111.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 m -114.04 117.44 31.3 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 71.24 110.625 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.07 124.81 34.65 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.818 -0.628 . . . . 63.04 110.65 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.29 -7.24 59.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.589 -0.732 . . . . 72.11 112.473 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -73.36 -25.34 60.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.456 0.302 . . . . 75.31 111.122 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -139.46 1.49 1.96 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.801 -0.636 . . . . 62.53 111.206 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.22 46.17 16.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.875 0.87 . . . . 72.25 111.433 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.34 158.1 44.32 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.45 -0.795 . . . . 74.43 111.527 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 17.6 m -80.62 132.49 35.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.595 -0.729 . . . . 73.51 111.686 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 87.5 mttt -131.33 166.85 20.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.443 -0.799 . . . . 71.31 111.059 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.37 140.35 29.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 62.43 110.629 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -90.95 149.75 21.75 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.439 0.462 . . . . 74.42 111.241 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 t -99.33 -42.6 6.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.861 -0.609 . . . . 72.25 111.151 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -116.23 144.84 43.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.053 -0.975 . . . . 72.1 111.074 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.537 -0.225 . . . . 64.33 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -96.3 151.1 19.84 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.66 0.271 . . . . 74.41 111.072 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 134.4 51.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.787 -0.642 . . . . 71.51 110.104 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 137.83 14.11 Favored Glycine 0 C--N 1.337 0.594 0 O-C-N 123.605 0.566 . . . . 75.32 112.892 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.99 154.61 18.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.569 0.348 . . . . 52.33 111.232 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 7.21 44.51 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.623 -0.717 . . . . 54.0 112.544 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -98.66 153.19 18.88 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.757 0.423 . . . . 75.51 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.01 121.34 22.6 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.957 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.6 t -98.08 127.4 44.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.762 -0.654 . . . . 73.21 111.035 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.5 -122.54 4.85 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.719 -0.673 . . . . 70.33 112.317 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.04 -53.02 1.21 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.539 0.199 . . . . 74.14 110.99 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -142.4 77.2 1.57 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.27 0.557 . . . . 73.2 110.866 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.68 -58.69 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.578 -0.737 . . . . 73.32 110.525 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -149.68 136.28 19.27 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.832 0.453 . . . . 74.35 110.241 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -98.48 143.45 28.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.651 -0.704 . . . . 72.33 110.307 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.2 138.91 31.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 64.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -19.27 61.49 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.1 0.778 . . . . 71.45 113.1 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -87.96 -28.74 21.28 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.279 0.362 . . . . 73.13 111.708 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.25 60.26 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 123.377 0.423 . . . . 74.21 113.954 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.584 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.4 t80 -95.71 116.92 29.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.963 0.411 . . . . 74.13 111.327 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.6 m -114.99 111.57 21.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.264 -0.88 . . . . 71.24 110.275 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.497 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -81.93 120.36 25.12 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.112 -0.494 . . . . 63.04 110.977 179.493 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -85.92 -7.91 58.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.527 -0.76 . . . . 72.11 112.269 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -77.68 -22.23 50.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.463 0.305 . . . . 75.31 111.106 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.76 1.38 2.09 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.866 -0.606 . . . . 62.53 111.286 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.6 mttt 58.43 42.13 21.72 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.791 0.837 . . . . 72.25 111.625 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.7 p -137.72 154.18 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.449 -0.796 . . . . 74.43 111.605 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.43 138.22 32.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.485 -0.78 . . . . 73.51 111.545 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 94.2 mttt -137.57 178.01 7.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.681 -0.69 . . . . 71.31 110.827 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.54 145.08 25.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.33 -0.396 . . . . 62.43 110.631 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -89.95 -40.21 12.51 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.057 -0.52 . . . . 74.42 111.289 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.9 m -97.7 129.88 44.72 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.412 0.445 . . . . 72.25 110.961 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 t -127.74 146.71 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.796 -0.638 . . . . 74.22 110.718 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.091 -0.957 . . . . 72.1 111.129 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.561 -0.215 . . . . 64.33 112.561 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -96.27 141.6 29.42 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.645 0.262 . . . . 74.41 110.991 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.17 151.68 37.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.974 -0.557 . . . . 71.51 110.672 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 15' ' ' LEU . . . -86.05 159.76 32.99 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-N 115.952 -0.567 . . . . 75.32 113.155 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.11 160.27 18.62 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.089 -0.481 . . . . 52.33 111.031 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.0 12.52 15.71 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-N 115.42 -0.809 . . . . 54.0 112.413 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -94.23 153.41 18.07 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 122.812 0.445 . . . . 75.51 111.144 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -74.3 124.76 27.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.041 -0.527 . . . . 75.12 111.2 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.4 m -96.48 138.64 33.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.874 -0.603 . . . . 73.21 111.035 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.22 -152.49 9.36 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.661 0.6 . . . . 70.33 112.582 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.46 -40.67 6.59 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.64 0.259 . . . . 74.14 111.257 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.66 -1.7 54.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.557 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.46 174.49 7.35 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.193 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 16' ' ' TYR . 1.3 tt -72.01 151.65 43.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.21 -0.45 . . . . 74.35 111.276 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.576 ' N ' HD22 ' A' ' 15' ' ' LEU . 10.1 t80 -71.82 151.6 43.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.204 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.73 137.96 35.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.798 -0.637 . . . . 64.0 111.959 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -9.98 39.76 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.502 -0.772 . . . . 71.45 111.597 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -89.45 -28.65 19.56 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.307 0.379 . . . . 73.13 111.56 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -40.98 2.59 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 121.401 -0.428 . . . . 74.21 113.631 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -92.05 117.01 29.43 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.165 0.507 . . . . 74.13 111.827 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -114.2 119.43 37.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.994 -1.003 . . . . 71.24 110.15 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 121.14 27.0 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.886 -0.597 . . . . 63.04 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.66 -10.05 57.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.437 -0.801 . . . . 72.11 112.231 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.09 -19.83 59.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.473 0.309 . . . . 75.31 111.095 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -136.54 -0.83 2.35 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.666 -0.697 . . . . 62.53 111.169 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 9' ' ' THR . 58.0 mmtt 58.95 37.23 24.67 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.868 0.867 . . . . 72.25 111.728 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.0 p -136.26 161.77 34.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 74.43 111.432 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 136.83 34.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.156 -0.474 . . . . 73.51 112.056 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -136.13 162.09 33.9 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.405 -0.816 . . . . 71.31 111.073 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.51 127.8 35.54 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.149 -0.478 . . . . 62.43 110.93 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -94.24 -43.22 8.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.949 -0.568 . . . . 74.42 111.126 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 m -104.94 140.73 37.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.327 -0.397 . . . . 72.25 110.967 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.3 p -104.0 141.03 36.9 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.629 0.581 . . . . 74.22 110.951 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.511 -0.757 . . . . 72.1 111.072 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.618 0.247 . . . . 74.140000000000001 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.5 t -126.78 154.79 43.78 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.894 -0.593 . . . . 62.130000000000003 110.639 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.06 129.12 9.3 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.922 -0.581 . . . . 73.010000000000005 112.807 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 122.71 0.404 . . . . 50.520000000000003 111.233 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.563 0 CA-C-O 120.222 -0.21 . . . . 24.329999999999998 112.632 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.41 153.03 17.89 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.699 0.4 . . . . 75.510000000000005 111.001 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -80.6 122.63 27.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.219 -0.446 . . . . 75.120000000000005 111.587 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -110.82 133.17 53.58 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.851 -0.613 . . . . 73.209999999999994 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.81 -71.13 0.43 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.922 -0.581 . . . . 65.430000000000007 112.74 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.13 -15.19 21.06 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.822 0.304 . . . . 74.140000000000001 111.822 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 14' ' ' ARG . 4.0 tp -93.45 164.93 13.0 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.255 0.347 . . . . 73.200000000000003 111.066 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 98.8 mtt180 -78.56 -176.33 4.77 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.016 -0.538 . . . . 51.43 111.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt 69.53 145.06 0.05 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.197 0.999 . . . . 74.349999999999994 112.069 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -108.74 169.07 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.438 -0.801 . . . . 71.420000000000002 110.994 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -82.55 138.37 34.29 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.99 -0.55 . . . . 62.450000000000003 111.628 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.9 -34.72 79.08 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.865 -0.607 . . . . 64.540000000000006 112.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -92.86 -28.07 16.74 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.104 -0.498 . . . . 73.129999999999995 111.227 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 96.15 38.03 4.7 Favored Glycine 0 C--N 1.34 0.773 0 O-C-N 123.559 0.537 . . . . 74.209999999999994 113.278 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -140.37 114.99 9.46 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.038 0.447 . . . . 61.299999999999997 111.29 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 m -115.01 120.35 39.56 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.168 -0.924 . . . . 71.239999999999995 109.885 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.32 122.08 26.46 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 111.194 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 t -88.05 -8.24 55.84 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.518 -0.764 . . . . 53.539999999999999 112.083 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.21 -20.04 57.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.449 0.3 . . . . 63.240000000000002 111.244 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.5 -1.8 1.84 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.813 -0.63 . . . . 40.32 111.223 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.36 51.88 7.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.787 0.835 . . . . 71.409999999999997 111.534 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -140.3 162.15 35.97 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.481 -0.782 . . . . 74.430000000000007 111.504 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 126.18 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.872 -0.604 . . . . 73.510000000000005 110.868 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 88.1 mttt -133.01 158.24 43.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.031 -0.531 . . . . 71.310000000000002 111.293 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.01 143.04 27.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.982 -0.554 . . . . 62.43 110.766 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mttm . . . . . 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 111.117 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 120.59 0.234 . . . . 74.140000000000001 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -107.57 147.35 30.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.016 -0.538 . . . . 62.130000000000003 110.257 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 119.45 5.79 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 113.074 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 122.721 0.408 . . . . 50.520000000000003 111.096 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 CA-C-O 120.241 -0.199 . . . . 24.329999999999998 112.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.89 153.13 19.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.495 0.318 . . . . 75.510000000000005 111.067 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.551 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.27 122.65 29.75 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.026 -0.534 . . . . 75.120000000000005 110.812 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -107.43 129.03 54.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.892 -0.595 . . . . 73.209999999999994 110.865 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.53 -53.24 0.65 Allowed Glycine 0 C--N 1.337 0.618 0 O-C-N 123.596 0.56 . . . . 65.430000000000007 112.883 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.14 -20.0 18.28 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.02 0.378 . . . . 74.140000000000001 112.02 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 9' ' ' THR . 5.9 mp -92.01 155.77 17.88 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.193 0.308 . . . . 73.200000000000003 111.402 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -88.44 -3.73 58.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.779 -0.646 . . . . 51.43 111.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -89.91 129.49 36.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.365 -0.379 . . . . 74.349999999999994 110.618 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.58 170.6 9.22 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.639 -0.709 . . . . 71.420000000000002 111.195 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.4 m -79.27 139.11 37.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.08 -0.509 . . . . 62.450000000000003 111.714 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -57.56 -29.67 64.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.906 -0.588 . . . . 64.540000000000006 112.485 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 p -91.86 -27.97 17.61 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.447 0.467 . . . . 73.129999999999995 111.411 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.83 36.63 4.96 Favored Glycine 0 C--N 1.34 0.784 0 O-C-N 123.52 0.512 . . . . 74.209999999999994 113.198 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 30.3 t80 -141.63 122.14 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.899 0.38 . . . . 61.299999999999997 111.082 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.2 m -114.22 123.44 49.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.274 -0.875 . . . . 71.239999999999995 110.127 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.552 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -88.19 120.56 29.66 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.136 -0.484 . . . . 63.039999999999999 110.647 179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.9 p -85.24 -7.45 59.02 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.539 -0.755 . . . . 53.539999999999999 112.484 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -73.97 -25.28 59.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.425 0.29 . . . . 63.240000000000002 111.232 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.59 0.58 1.85 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.276 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.17 53.41 6.62 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.758 0.823 . . . . 71.409999999999997 111.296 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -137.26 162.33 33.8 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.408 -0.815 . . . . 74.430000000000007 111.944 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.95 125.9 32.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.337 -0.847 . . . . 73.510000000000005 111.254 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.8 mttt -135.93 159.97 40.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.864 -0.607 . . . . 71.310000000000002 110.918 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.59 143.19 27.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.046 -0.524 . . . . 62.43 110.771 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.8 tttp . . . . . 0 N--CA 1.466 0.34 0 O-C-N 123.54 0.525 . . . . 74.420000000000002 110.824 -179.787 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.4 m-90 . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.561 0.22 . . . . 74.140000000000001 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -110.02 157.28 19.47 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.929 -0.578 . . . . 62.130000000000003 110.705 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.84 138.02 14.89 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 116.064 -0.516 . . . . 73.010000000000005 112.868 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 122.627 0.371 . . . . 50.520000000000003 111.109 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-O 120.286 -0.175 . . . . 24.329999999999998 112.686 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.86 153.35 19.22 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.643 0.377 . . . . 75.510000000000005 111.112 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.14 132.61 36.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.009 -0.541 . . . . 75.120000000000005 110.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.74 125.77 42.73 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.882 -0.599 . . . . 73.209999999999994 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.81 -124.21 0.7 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.899 -0.592 . . . . 65.430000000000007 112.735 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.79 -39.71 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.636 0.257 . . . . 74.140000000000001 111.317 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.08 -12.59 37.98 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.354 0.409 . . . . 73.200000000000003 111.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -93.37 171.39 8.95 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.415 0.447 . . . . 51.43 111.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.7 155.28 37.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.733 0.413 . . . . 74.349999999999994 111.898 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.08 166.38 13.9 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.757 -0.656 . . . . 71.420000000000002 111.258 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.5 m -82.04 138.24 34.89 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.072 -0.513 . . . . 62.450000000000003 111.317 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -73.15 -16.57 61.44 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.026 -0.534 . . . . 64.540000000000006 112.055 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -98.6 -28.25 13.64 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.452 0.47 . . . . 73.129999999999995 111.115 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 36.76 5.42 Favored Glycine 0 C--N 1.341 0.841 0 O-C-N 123.552 0.533 . . . . 74.209999999999994 113.37 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 28.0 t80 -141.24 119.94 12.54 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.928 0.394 . . . . 61.299999999999997 111.192 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.1 m -114.14 120.88 42.01 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.152 -0.931 . . . . 71.239999999999995 110.078 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -87.52 121.86 30.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.138 -0.483 . . . . 63.039999999999999 110.664 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.8 m -84.06 -7.26 59.44 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.906 0.754 . . . . 53.539999999999999 112.453 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -73.37 -24.7 60.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.434 0.294 . . . . 63.240000000000002 111.073 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -140.05 0.02 1.71 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.741 -0.663 . . . . 40.32 111.232 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.96 51.9 8.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.842 0.857 . . . . 71.409999999999997 111.296 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -139.42 163.17 33.22 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.388 -0.823 . . . . 74.430000000000007 111.972 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.45 128.65 34.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.332 -0.849 . . . . 73.510000000000005 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.6 mttt -135.93 159.8 40.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.925 -0.58 . . . . 71.310000000000002 111.142 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.23 147.64 24.04 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 62.43 110.855 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 30.2 mmtt . . . . . 0 N--CA 1.468 0.452 0 O-C-N 123.452 0.47 . . . . 74.420000000000002 111.422 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.556 0.217 . . . . 74.140000000000001 111.078 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -130.85 149.62 52.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.898 -0.592 . . . . 62.130000000000003 110.165 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.39 148.79 31.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.071 -0.513 . . . . 73.010000000000005 113.453 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 122.774 0.43 . . . . 50.520000000000003 111.143 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 112.503 -0.239 . . . . 24.329999999999998 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.53 153.37 18.21 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.728 0.411 . . . . 75.510000000000005 111.022 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.92 121.9 24.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.052 -0.522 . . . . 75.120000000000005 111.001 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 35.8 t -100.83 146.52 27.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.906 -0.588 . . . . 73.209999999999994 111.064 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.94 -120.68 0.96 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.672 -0.695 . . . . 65.430000000000007 112.178 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.54 84.8 2.82 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.281 0.562 . . . . 74.140000000000001 110.502 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.13 164.07 30.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.322 -0.854 . . . . 73.200000000000003 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.85 -28.16 28.2 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.17 -0.468 . . . . 51.43 111.507 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 tp -96.01 123.5 39.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.138 -0.483 . . . . 74.349999999999994 110.475 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -95.65 154.23 17.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.602 -0.726 . . . . 71.420000000000002 110.802 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -81.82 139.12 34.94 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.997 -0.547 . . . . 62.450000000000003 112.129 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -5.21 24.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.414 -0.812 . . . . 64.540000000000006 112.891 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.0 m -85.51 -28.77 24.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.01 0.374 . . . . 73.129999999999995 112.01 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.42 -42.59 3.14 Favored Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.453 -0.403 . . . . 74.209999999999994 113.628 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.53 126.12 35.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.95 0.405 . . . . 61.299999999999997 111.528 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 m -114.32 126.9 55.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 71.239999999999995 110.671 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -93.16 118.62 31.43 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.907 -0.588 . . . . 63.039999999999999 110.614 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -86.22 -8.1 58.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.514 -0.766 . . . . 53.539999999999999 112.181 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -76.81 -19.98 56.92 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.481 0.312 . . . . 63.240000000000002 111.162 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p -138.74 0.89 2.05 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.823 -0.626 . . . . 40.32 111.298 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.54 40.82 23.37 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.81 0.844 . . . . 71.409999999999997 111.764 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.1 p -132.26 158.01 42.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.573 -0.739 . . . . 74.430000000000007 111.483 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 10' ' ' CYS . 80.5 m -86.48 126.81 34.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.56 -0.745 . . . . 73.510000000000005 111.308 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.0 mttt -130.95 167.89 18.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.641 -0.708 . . . . 71.310000000000002 110.984 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.42 147.1 24.87 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.134 -0.485 . . . . 62.43 110.742 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tttt . . . . . 0 CA--C 1.535 0.378 0 O-C-N 123.544 0.527 . . . . 74.420000000000002 111.416 -179.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.47 0.176 . . . . 74.140000000000001 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 95.2 m -118.38 148.26 42.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.028 -0.533 . . . . 62.130000000000003 111.088 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 156.49 23.09 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.632 -0.713 . . . . 73.010000000000005 112.508 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 119.13 -0.462 . . . . 50.520000000000003 110.984 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 112.454 -0.259 . . . . 24.329999999999998 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -93.13 152.87 18.99 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 122.788 0.435 . . . . 75.510000000000005 110.792 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 126.45 30.79 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.37 0.419 . . . . 75.120000000000005 111.544 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.8 t -117.49 126.55 52.8 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.641 -0.709 . . . . 73.209999999999994 110.588 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.72 -49.46 0.14 Allowed Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.96 -0.564 . . . . 65.430000000000007 112.521 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.96 157.69 16.2 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.504 0.322 . . . . 74.140000000000001 110.949 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -88.13 93.52 9.52 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.21 0.528 . . . . 73.200000000000003 111.282 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -143.34 -46.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.29 -0.868 . . . . 51.43 110.527 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 16' ' ' TYR . 2.3 tt -133.7 142.76 48.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.988 -0.551 . . . . 74.349999999999994 110.244 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 91.5 m-85 -105.48 132.67 51.35 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.621 0.575 . . . . 71.420000000000002 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.56 138.0 31.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 62.450000000000003 111.219 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.77 -2.74 31.23 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.919 -0.582 . . . . 64.540000000000006 112.561 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' HA ' ' A' ' 31' ' ' ASP . 13.6 t -90.23 -29.13 18.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.642 -0.253 . . . . 73.129999999999995 111.352 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 -32.58 3.05 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 114.073 0.389 . . . . 74.209999999999994 114.073 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.22 120.4 32.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.049 0.452 . . . . 61.299999999999997 111.838 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -114.93 123.93 50.39 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.124 -0.943 . . . . 71.239999999999995 110.044 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.81 121.99 28.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.13 -0.486 . . . . 63.039999999999999 111.101 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.2 m -88.08 -9.93 51.74 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.537 -0.756 . . . . 53.539999999999999 112.116 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.21 -19.89 57.98 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.537 0.335 . . . . 63.240000000000002 111.187 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -138.1 -1.69 1.93 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 40.32 111.321 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.04 49.28 11.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.85 0.86 . . . . 71.409999999999997 111.559 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.1 p -139.45 157.8 45.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.393 -0.821 . . . . 74.430000000000007 111.736 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.18 125.02 30.42 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.523 -0.762 . . . . 73.510000000000005 111.224 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.8 mttt -131.86 161.85 32.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.719 -0.673 . . . . 71.310000000000002 111.258 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.495 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 8.1 m-20 -88.52 142.75 27.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.984 -0.553 . . . . 62.43 110.768 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttt . . . . . 0 C--O 1.235 0.294 0 CA-C-N 116.093 -0.503 . . . . 74.420000000000002 110.857 -179.741 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.2 m95 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.514 0.197 . . . . 74.140000000000001 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -101.56 136.91 40.6 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.862 -0.608 . . . . 62.130000000000003 110.595 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.69 143.61 16.83 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.936 -0.575 . . . . 73.010000000000005 112.931 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 122.793 0.437 . . . . 50.520000000000003 111.193 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 112.597 -0.201 . . . . 24.329999999999998 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 153.3 17.77 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.697 0.399 . . . . 75.510000000000005 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -81.26 137.7 35.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.819 -0.628 . . . . 75.120000000000005 110.99 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 86.4 m -95.69 152.87 18.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.928 -0.578 . . . . 73.209999999999994 111.354 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.86 -160.11 33.45 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.807 -0.633 . . . . 65.430000000000007 112.722 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -97.56 -44.31 6.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.374 0.27 . . . . 74.140000000000001 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.55 -3.49 54.98 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.367 0.417 . . . . 73.200000000000003 111.326 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -92.45 172.49 8.35 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.849 -0.614 . . . . 51.43 110.956 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -75.92 152.9 36.99 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.399 -0.364 . . . . 74.349999999999994 111.56 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' H ' HD23 ' A' ' 15' ' ' LEU . 88.5 m-85 -83.26 159.88 21.86 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.893 -0.594 . . . . 71.420000000000002 111.459 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 58.1 m -93.28 138.57 31.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.818 -0.628 . . . . 62.450000000000003 111.334 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.52 -14.8 61.28 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.589 0.556 . . . . 64.540000000000006 112.119 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.6 m -94.81 -28.4 15.27 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 73.129999999999995 111.595 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.71 -22.28 40.04 Favored Glycine 0 C--N 1.34 0.798 0 O-C-N 123.448 0.467 . . . . 74.209999999999994 113.603 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 31.3 t80 -95.38 123.01 38.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.986 0.422 . . . . 61.299999999999997 111.558 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.6 m -114.44 124.78 52.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.135 -0.939 . . . . 71.239999999999995 110.321 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.582 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.79 125.23 35.23 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.429 179.295 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -82.87 -7.21 59.68 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.044 0.84 . . . . 53.539999999999999 112.405 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -71.05 -27.57 63.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.438 0.295 . . . . 63.240000000000002 111.196 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -140.54 1.23 1.73 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.682 -0.69 . . . . 40.32 111.248 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.74 52.98 7.52 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.808 0.843 . . . . 71.409999999999997 111.139 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -139.04 166.57 24.15 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.444 -0.798 . . . . 74.430000000000007 112.176 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.73 130.9 35.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.32 -0.854 . . . . 73.510000000000005 111.358 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 78.2 mttt -139.66 157.65 45.42 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.495 0.497 . . . . 71.310000000000002 111.239 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.87 147.39 23.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.791 -0.64 . . . . 62.43 110.78 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 mttt . . . . . 0 N--CA 1.468 0.426 0 O-C-N 123.42 0.45 . . . . 74.420000000000002 111.383 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 120.519 0.199 . . . . 74.140000000000001 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.96 151.71 33.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.959 -0.564 . . . . 62.130000000000003 110.412 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.81 137.48 14.84 Favored Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.812 -0.631 . . . . 73.010000000000005 112.819 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 119.261 -0.4 . . . . 50.520000000000003 111.243 -179.637 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.477 0 CA-C-O 120.233 -0.204 . . . . 24.329999999999998 112.68 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -91.46 153.03 20.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.638 0.375 . . . . 75.510000000000005 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 134.69 34.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.973 -0.558 . . . . 75.120000000000005 110.997 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.7 m -102.53 127.59 49.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.593 . . . . 73.209999999999994 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.12 -33.79 5.8 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.904 -0.589 . . . . 65.430000000000007 113.259 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.23 -39.02 12.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.826 0.306 . . . . 74.140000000000001 111.826 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.59 154.32 17.43 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.316 0.385 . . . . 73.200000000000003 111.264 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.96 -8.85 53.35 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.842 -0.617 . . . . 51.43 111.814 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -90.48 136.6 32.96 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.724 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -92.2 153.72 19.12 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.604 -0.725 . . . . 71.420000000000002 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 55.4 m -89.59 139.45 30.53 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.987 -0.552 . . . . 62.450000000000003 111.754 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -56.22 -19.83 15.54 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.571 0.952 . . . . 64.540000000000006 113.571 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -83.22 -29.06 28.8 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.931 0.345 . . . . 73.129999999999995 111.931 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.09 -27.57 4.44 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 114.156 0.423 . . . . 74.209999999999994 114.156 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -89.33 121.46 31.62 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.976 0.417 . . . . 61.299999999999997 111.666 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.48 123.37 49.23 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.137 -0.938 . . . . 71.239999999999995 110.25 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.562 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.13 124.77 34.64 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.005 -0.543 . . . . 63.039999999999999 110.908 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.38 -9.56 58.32 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.486 -0.779 . . . . 53.539999999999999 112.318 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -73.26 -21.96 60.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.47 0.308 . . . . 63.240000000000002 111.059 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -139.39 -0.32 1.8 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.674 -0.694 . . . . 40.32 111.137 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 57.8 42.07 23.96 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.849 0.86 . . . . 71.409999999999997 111.562 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.7 p -136.12 162.81 31.88 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.559 -0.746 . . . . 74.430000000000007 111.69 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 42.0 m -80.81 131.76 35.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.501 -0.772 . . . . 73.510000000000005 111.76 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 84.6 mttt -133.85 161.34 35.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.713 -0.676 . . . . 71.310000000000002 110.833 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.73 130.3 35.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.023 -0.535 . . . . 62.43 110.802 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 tttt . . . . . 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 74.420000000000002 110.714 -179.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.451 0.167 . . . . 74.140000000000001 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 71.0 m -107.85 147.45 30.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.984 -0.553 . . . . 62.130000000000003 110.925 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.28 -174.15 31.38 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.676 -0.693 . . . . 73.010000000000005 112.755 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 CA--C 1.537 0.467 0 CA-C-O 119.328 -0.368 . . . . 50.520000000000003 110.65 179.692 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 112.25 -0.34 . . . . 24.329999999999998 112.25 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -86.04 153.19 22.3 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.969 0.508 . . . . 75.510000000000005 111.339 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.077 -0.51 . . . . 75.120000000000005 111.301 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.7 t -111.32 144.69 40.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.79 -0.641 . . . . 73.209999999999994 110.794 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.51 -140.74 4.68 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.646 0.591 . . . . 65.430000000000007 112.567 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.15 -40.76 9.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.417 0.287 . . . . 74.140000000000001 111.565 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.6 -9.88 53.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.253 -0.431 . . . . 73.200000000000003 111.712 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.56 166.16 12.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 51.43 110.975 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.91 168.67 19.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.24 -0.436 . . . . 74.349999999999994 111.557 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 10.6 t80 -90.12 145.67 24.87 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.312 -0.404 . . . . 71.420000000000002 110.797 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.9 m -98.82 139.06 35.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.849 -0.614 . . . . 62.450000000000003 111.256 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 m -72.1 -2.44 18.53 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.758 0.651 . . . . 64.540000000000006 112.758 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -84.56 -28.71 26.42 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.304 0.242 . . . . 73.129999999999995 111.544 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.65 15.71 72.63 Favored Glycine 0 C--N 1.343 0.929 0 O-C-N 123.485 0.491 . . . . 74.209999999999994 114.236 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 33.7 t80 -135.22 113.69 11.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 117.175 0.487 . . . . 61.299999999999997 111.507 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 108.97 17.1 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.088 -0.96 . . . . 71.239999999999995 109.928 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.21 120.53 21.62 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.187 -0.46 . . . . 63.039999999999999 111.084 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.5 m -85.67 -7.39 58.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.561 -0.745 . . . . 53.539999999999999 112.374 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -77.44 -23.64 50.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.476 0.311 . . . . 63.240000000000002 111.19 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -139.03 1.27 2.02 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.867 -0.606 . . . . 40.32 111.358 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.5 mttt 58.28 47.58 13.88 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.781 0.832 . . . . 71.409999999999997 111.475 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.7 p -139.58 153.96 47.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.594 -0.73 . . . . 74.430000000000007 111.814 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.91 133.44 34.72 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.414 -0.812 . . . . 73.510000000000005 111.335 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.5 170.75 15.55 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.568 0.542 . . . . 71.310000000000002 111.182 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.82 154.03 20.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.082 -0.508 . . . . 62.43 110.71 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.209 -179.72 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.549 0.214 . . . . 74.140000000000001 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -100.11 146.72 26.47 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.901 -0.59 . . . . 62.130000000000003 110.631 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 125.16 8.38 Favored Glycine 0 C--N 1.338 0.649 0 O-C-N 123.574 0.546 . . . . 73.010000000000005 112.838 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 122.648 0.379 . . . . 50.520000000000003 110.938 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 120.133 -0.259 . . . . 24.329999999999998 112.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.97 151.96 19.18 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.423 0.289 . . . . 75.510000000000005 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.06 123.71 32.43 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.898 -0.592 . . . . 75.120000000000005 110.891 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.7 p -121.84 122.59 39.8 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.575 0.547 . . . . 73.209999999999994 111.063 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.45 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.556 -0.747 . . . . 65.430000000000007 112.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -94.99 165.6 12.36 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.531 0.332 . . . . 74.140000000000001 110.566 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.4 89.77 6.14 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.407 0.622 . . . . 73.200000000000003 111.341 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.17 -46.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.201 -0.909 . . . . 51.43 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -132.22 149.21 52.43 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.56 0.537 . . . . 74.349999999999994 110.612 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' H ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -108.54 160.06 16.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.004 -0.544 . . . . 71.420000000000002 111.139 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -80.49 138.38 36.56 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.693 -0.685 . . . . 62.450000000000003 111.389 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.82 -36.32 82.11 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.032 -0.531 . . . . 64.540000000000006 112.178 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -96.42 -27.99 14.65 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.457 0.473 . . . . 73.129999999999995 111.05 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.47 32.58 5.97 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 116.096 -0.502 . . . . 74.209999999999994 113.05 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -141.71 119.99 12.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.779 0.323 . . . . 61.299999999999997 110.97 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.04 124.98 52.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.526 -0.761 . . . . 71.239999999999995 110.161 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -82.12 123.77 29.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.12 -0.491 . . . . 63.039999999999999 110.988 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 t -85.66 -7.49 58.78 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.946 0.779 . . . . 53.539999999999999 112.124 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.88 -22.51 56.07 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.496 0.318 . . . . 63.240000000000002 111.128 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.45 -1.47 1.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.784 -0.644 . . . . 40.32 111.224 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.3 51.73 8.08 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.867 0.867 . . . . 71.409999999999997 111.332 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 p -134.74 161.28 35.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.494 -0.775 . . . . 74.430000000000007 111.919 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 122.2 28.48 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.659 -0.7 . . . . 73.510000000000005 110.87 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 85.5 mttt -130.16 165.9 21.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.95 -0.568 . . . . 71.310000000000002 111.233 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.56 144.49 26.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.079 -0.509 . . . . 62.43 110.845 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 tttt . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.017 -0.538 . . . . 74.420000000000002 111.108 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.543 0.211 . . . . 74.140000000000001 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.41 130.35 49.16 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.962 -0.563 . . . . 62.130000000000003 109.784 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 119.86 5.1 Favored Glycine 0 C--N 1.338 0.66 0 O-C-N 123.548 0.53 . . . . 73.010000000000005 113.343 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 122.851 0.46 . . . . 50.520000000000003 111.072 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 CA-C-O 120.229 -0.206 . . . . 24.329999999999998 112.767 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.25 18.86 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 122.617 0.367 . . . . 75.510000000000005 111.037 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 117.03 22.83 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.041 -0.527 . . . . 75.120000000000005 110.919 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.68 121.63 43.98 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.821 -0.627 . . . . 73.209999999999994 110.777 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.4 -100.04 2.64 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.797 -0.638 . . . . 65.430000000000007 112.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -125.15 -54.0 1.61 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.654 0.267 . . . . 74.140000000000001 110.553 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.33 90.79 2.13 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.071 0.462 . . . . 73.200000000000003 110.877 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.64 -59.44 0.37 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.638 -0.71 . . . . 51.43 110.352 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -147.88 143.47 27.43 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.442 0.464 . . . . 74.349999999999994 110.008 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.67 158.2 15.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.824 -0.625 . . . . 71.420000000000002 111.215 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.616 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -85.8 138.47 32.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.827 -0.624 . . . . 62.450000000000003 111.658 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.98 69.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.875 -0.602 . . . . 64.540000000000006 111.935 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 p -99.15 -28.22 13.46 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.535 . . . . 73.129999999999995 111.0 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.616 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.91 45.9 2.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 116.069 -0.514 . . . . 74.209999999999994 113.321 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 26.1 t80 -145.91 113.91 6.53 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.064 0.459 . . . . 61.299999999999997 111.439 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.45 113.85 24.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.331 -0.85 . . . . 71.239999999999995 109.931 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.92 118.81 21.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.227 -0.442 . . . . 63.039999999999999 111.238 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 t -89.37 -9.34 50.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.508 -0.769 . . . . 53.539999999999999 111.906 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.68 -26.61 45.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.509 0.324 . . . . 63.240000000000002 111.042 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -128.98 -1.82 5.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.806 -0.634 . . . . 40.32 111.151 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.42 48.12 12.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.874 0.87 . . . . 71.409999999999997 111.571 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.11 157.34 45.43 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.56 -0.746 . . . . 74.430000000000007 111.589 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 130.36 34.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.836 -0.62 . . . . 73.510000000000005 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 89.9 mttt -137.57 169.63 17.46 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.368 0.418 . . . . 71.310000000000002 111.142 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 159.25 17.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.081 -0.508 . . . . 62.43 110.737 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.47 0.563 0 CA-C-N 116.418 -0.355 . . . . 74.420000000000002 111.419 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.404 ' O ' HD21 ' A' ' 15' ' ' LEU . 85.8 m95 . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.521 0.201 . . . . 74.140000000000001 110.968 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -119.37 155.54 31.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.986 -0.552 . . . . 62.130000000000003 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.499 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -90.49 145.42 17.99 Favored Glycine 0 C--N 1.34 0.758 0 CA-C-N 116.008 -0.542 . . . . 73.010000000000005 113.075 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 119.179 -0.438 . . . . 50.520000000000003 110.899 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 CA-C-O 120.253 -0.193 . . . . 24.329999999999998 112.715 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.0 153.64 19.03 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.608 0.363 . . . . 75.510000000000005 111.07 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.13 122.81 26.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.969 -0.559 . . . . 75.120000000000005 110.997 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -102.39 148.27 25.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.885 -0.598 . . . . 73.209999999999994 111.047 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.09 -142.73 4.8 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.855 -0.612 . . . . 65.430000000000007 112.61 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.75 -43.96 6.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.398 0.279 . . . . 74.140000000000001 111.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.98 -4.25 53.01 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.364 0.415 . . . . 73.200000000000003 111.467 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 9' ' ' THR . 35.6 mtm180 -91.76 174.82 7.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.998 -0.546 . . . . 51.43 110.962 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -71.84 155.42 40.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.746 0.418 . . . . 74.349999999999994 111.759 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' H ' HD23 ' A' ' 15' ' ' LEU . 89.5 m-85 -83.69 162.84 20.58 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.911 -0.586 . . . . 71.420000000000002 111.853 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.03 138.64 31.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.656 -0.702 . . . . 62.450000000000003 111.505 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.7 -30.33 64.13 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.898 -0.592 . . . . 64.540000000000006 111.984 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 m -92.73 -28.11 16.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.174 -0.466 . . . . 73.129999999999995 111.309 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.75 30.38 6.84 Favored Glycine 0 C--N 1.339 0.743 0 O-C-N 123.486 0.491 . . . . 74.209999999999994 113.363 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -139.71 115.3 10.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.001 0.429 . . . . 61.299999999999997 111.268 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.0 m -114.74 120.74 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.25 -0.886 . . . . 71.239999999999995 109.911 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.89 120.46 24.74 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 111.103 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -85.44 -9.79 57.03 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.368 -0.833 . . . . 53.539999999999999 112.331 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -74.42 -20.44 60.04 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.165 0.29 . . . . 63.240000000000002 111.144 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.47 -1.2 1.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.726 -0.67 . . . . 40.32 111.221 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.29 45.31 17.28 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.848 0.859 . . . . 71.409999999999997 111.543 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -131.03 161.32 32.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.499 -0.773 . . . . 74.430000000000007 111.598 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 126.16 33.39 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.753 -0.658 . . . . 73.510000000000005 111.031 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.1 mttt -133.66 160.63 36.95 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.954 -0.566 . . . . 71.310000000000002 111.127 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.44 143.46 26.97 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.028 -0.533 . . . . 62.43 110.835 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttt . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 116.009 -0.541 . . . . 74.420000000000002 111.079 -179.787 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.4 m95 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.443 0.164 . . . . 74.140000000000001 111.065 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.36 134.06 45.0 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.626 0.579 . . . . 62.130000000000003 110.571 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.81 136.9 13.29 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.588 0.555 . . . . 73.010000000000005 113.043 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 119.23 -0.414 . . . . 50.520000000000003 111.017 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 CA-C-O 120.178 -0.234 . . . . 24.329999999999998 112.725 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.04 153.26 19.36 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.564 0.346 . . . . 75.510000000000005 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -83.89 122.63 28.98 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 75.120000000000005 110.727 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.96 150.33 22.99 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.902 -0.59 . . . . 73.209999999999994 111.299 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.99 -135.41 2.18 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 115.818 -0.628 . . . . 65.430000000000007 112.455 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -103.02 -46.25 4.71 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.277 0.231 . . . . 74.140000000000001 111.149 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.54 3.74 50.54 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.384 0.427 . . . . 73.200000000000003 111.25 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 9' ' ' THR . 73.1 mtt180 -91.69 177.09 6.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.025 -0.534 . . . . 51.43 111.156 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -71.14 152.98 42.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 122.789 0.436 . . . . 74.349999999999994 111.727 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -81.79 160.52 23.54 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.851 -0.613 . . . . 71.420000000000002 111.386 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.25 138.63 31.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.776 -0.647 . . . . 62.450000000000003 111.768 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 m -69.53 -34.8 74.76 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.781 -0.645 . . . . 64.540000000000006 112.089 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -92.33 -28.11 17.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 111.239 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 99.15 31.32 6.26 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.418 0.449 . . . . 74.209999999999994 113.309 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.69 116.73 11.7 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.988 0.423 . . . . 61.299999999999997 111.061 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.5 m -114.48 121.89 44.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.302 -0.863 . . . . 71.239999999999995 110.09 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -82.36 120.77 25.84 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 116.2 -0.455 . . . . 63.039999999999999 111.032 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -84.68 -7.38 59.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.431 -0.804 . . . . 53.539999999999999 112.347 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -72.91 -24.83 60.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.455 0.302 . . . . 63.240000000000002 111.142 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.72 1.39 1.9 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.737 -0.665 . . . . 40.32 111.231 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.38 46.72 14.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.876 0.87 . . . . 71.409999999999997 111.431 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -128.52 161.67 29.03 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.4 -0.818 . . . . 74.430000000000007 111.629 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 125.43 33.51 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.731 -0.668 . . . . 73.510000000000005 111.018 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.6 mttt -133.66 159.9 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.87 -0.604 . . . . 71.310000000000002 111.06 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.5 143.51 26.93 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.039 -0.528 . . . . 62.43 110.871 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tttt . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.046 -0.525 . . . . 74.420000000000002 111.171 -179.777 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.528 0.204 . . . . 74.140000000000001 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.5 127.73 46.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.877 -0.601 . . . . 62.130000000000003 110.637 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.47 141.01 15.37 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.931 -0.577 . . . . 73.010000000000005 112.692 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 122.826 0.45 . . . . 50.520000000000003 111.356 -179.836 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.402 0 N-CA-C 112.463 -0.255 . . . . 24.329999999999998 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -88.68 152.96 21.48 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 122.758 0.423 . . . . 75.510000000000005 110.934 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 131.58 35.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 111.545 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -107.95 150.36 27.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.64 -0.709 . . . . 73.209999999999994 110.792 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.96 -57.15 0.45 Allowed Glycine 0 C--N 1.337 0.593 0 O-C-N 123.563 0.539 . . . . 65.430000000000007 112.59 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -96.28 153.34 17.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.385 0.274 . . . . 74.140000000000001 110.956 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.74 94.85 9.21 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.244 0.545 . . . . 73.200000000000003 110.681 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -143.0 -41.91 0.31 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.422 -0.808 . . . . 51.43 110.892 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.4 tt -125.99 144.49 50.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.087 -0.506 . . . . 74.349999999999994 110.52 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.7 t80 -95.18 133.25 39.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 71.420000000000002 110.271 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.37 138.52 37.7 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.105 -0.498 . . . . 62.450000000000003 111.965 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.38 -28.87 65.44 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.603 -0.726 . . . . 64.540000000000006 112.453 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t -91.71 -28.65 17.3 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.364 0.415 . . . . 73.129999999999995 111.679 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.16 -27.98 7.1 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 123.333 0.396 . . . . 74.209999999999994 113.688 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -90.12 120.53 31.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.969 0.414 . . . . 61.299999999999997 111.461 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.11 122.38 47.39 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.931 . . . . 71.239999999999995 110.585 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.81 120.94 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.819 -0.628 . . . . 63.039999999999999 110.824 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 p -85.48 -9.33 57.6 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.41 -0.813 . . . . 53.539999999999999 112.259 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -76.2 -19.92 57.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.523 0.329 . . . . 63.240000000000002 111.134 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -136.05 -0.47 2.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.736 -0.665 . . . . 40.32 111.232 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.57 39.32 24.89 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.78 0.832 . . . . 71.409999999999997 111.769 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.4 p -139.09 160.7 39.16 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.604 -0.725 . . . . 74.430000000000007 111.323 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 134.74 34.21 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.116 -0.493 . . . . 73.510000000000005 111.558 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 89.9 mttt -132.91 163.86 28.22 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.494 -0.775 . . . . 71.310000000000002 110.968 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.6 128.23 35.57 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.777 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 tttp . . . . . 0 C--O 1.234 0.278 0 CA-C-N 116.035 -0.53 . . . . 74.420000000000002 110.847 -179.739 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.565 0.221 . . . . 74.140000000000001 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 t -125.47 155.52 40.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.908 -0.587 . . . . 62.130000000000003 110.762 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 169.83 31.56 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 115.816 -0.629 . . . . 73.010000000000005 112.939 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.542 0.656 0 CA-C-O 119.182 -0.437 . . . . 50.520000000000003 110.9 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 112.251 -0.34 . . . . 24.329999999999998 112.251 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 153.64 22.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.073 0.549 . . . . 75.510000000000005 111.694 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m -77.07 125.44 29.32 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.727 -0.669 . . . . 75.120000000000005 111.048 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.2 m -96.84 152.62 18.51 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 73.209999999999994 111.401 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.23 -152.57 12.94 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.84 -0.618 . . . . 65.430000000000007 112.532 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -101.53 -44.55 5.56 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.607 0.239 . . . . 74.140000000000001 111.218 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.67 0.9 56.68 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.374 0.421 . . . . 73.200000000000003 111.397 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -92.52 173.25 7.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.089 -0.505 . . . . 51.43 111.214 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -71.97 158.51 35.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.827 0.451 . . . . 74.349999999999994 111.845 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.619 ' H ' HD23 ' A' ' 15' ' ' LEU . 87.8 m-85 -75.64 153.44 37.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.066 -0.515 . . . . 71.420000000000002 111.778 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -97.81 138.33 35.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.68 -0.691 . . . . 62.450000000000003 111.709 -179.437 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.18 -19.01 30.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.676 -0.693 . . . . 64.540000000000006 111.956 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -86.37 -28.44 23.61 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.964 0.357 . . . . 73.129999999999995 111.964 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.02 -39.53 2.91 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 121.366 -0.445 . . . . 74.209999999999994 113.439 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 40.6 t80 -92.08 116.86 29.3 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.074 0.464 . . . . 61.299999999999997 111.674 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.0 m -114.55 120.22 39.45 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.003 -0.999 . . . . 71.239999999999995 109.984 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.2 127.94 33.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.007 -0.542 . . . . 63.039999999999999 110.831 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.7 m -83.9 -9.23 58.88 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.941 0.776 . . . . 53.539999999999999 112.352 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.0 -22.8 60.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.472 0.309 . . . . 63.240000000000002 111.081 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -139.43 -1.01 1.73 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.598 -0.728 . . . . 40.32 111.153 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.8 mttt 57.16 46.6 18.65 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.867 0.867 . . . . 71.409999999999997 111.513 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -140.92 163.94 31.6 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.633 -0.712 . . . . 74.430000000000007 111.956 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 132.71 38.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.855 -0.611 . . . . 73.510000000000005 111.872 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 21' ' ' PHE . 23.4 mttm -136.24 161.98 34.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.477 -0.783 . . . . 71.310000000000002 110.934 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.55 142.88 27.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.088 -0.505 . . . . 62.43 111.0 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.9 tttt . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.069 -0.514 . . . . 74.420000000000002 111.075 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.5 m95 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.413 0.149 . . . . 74.140000000000001 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 t -113.15 146.91 38.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.058 -0.519 . . . . 62.130000000000003 110.755 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.93 136.81 13.7 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.855 -0.611 . . . . 73.010000000000005 112.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 122.78 0.432 . . . . 50.520000000000003 111.314 -179.895 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.458 0 N-CA-C 112.427 -0.269 . . . . 24.329999999999998 112.427 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.81 153.21 18.41 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.827 0.451 . . . . 75.510000000000005 110.892 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.72 121.62 22.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 75.120000000000005 111.345 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.73 128.92 53.98 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.687 -0.688 . . . . 73.209999999999994 110.767 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.28 -47.42 0.23 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.871 -0.604 . . . . 65.430000000000007 112.645 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.34 152.8 18.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.507 0.323 . . . . 74.140000000000001 110.889 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tt -93.31 94.18 8.61 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.18 0.514 . . . . 73.200000000000003 110.713 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -144.7 -43.56 0.24 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.483 -0.781 . . . . 51.43 110.892 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -130.48 149.11 52.3 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.493 0.496 . . . . 74.349999999999994 110.772 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -93.06 152.47 19.26 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.042 -0.526 . . . . 71.420000000000002 110.843 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.83 138.76 33.02 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.851 -0.613 . . . . 62.450000000000003 111.408 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.57 -28.21 60.83 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.833 -0.621 . . . . 64.540000000000006 112.298 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 p -93.07 -28.85 16.1 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.266 0.354 . . . . 73.129999999999995 111.925 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.9 -20.35 20.54 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 121.543 -0.36 . . . . 74.209999999999994 113.82 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -90.58 122.56 33.49 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.948 0.404 . . . . 61.299999999999997 111.404 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 m -114.15 121.63 44.35 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.214 -0.903 . . . . 71.239999999999995 110.568 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.5 122.82 33.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.838 -0.619 . . . . 63.039999999999999 110.793 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -86.12 -7.33 58.66 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.568 -0.742 . . . . 53.539999999999999 112.361 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -75.47 -21.81 57.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.486 0.314 . . . . 63.240000000000002 111.188 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.85 0.25 1.97 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.263 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.3 45.88 16.4 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.829 0.852 . . . . 71.409999999999997 111.566 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 p -140.07 160.3 40.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.411 -0.813 . . . . 74.430000000000007 111.337 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 130.95 34.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 111.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -130.89 162.8 28.85 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.486 -0.779 . . . . 71.310000000000002 111.145 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.31 124.94 34.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.999 -0.546 . . . . 62.43 110.589 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.0 pttt . . . . . 0 N--CA 1.469 0.514 0 CA-C-N 116.119 -0.492 . . . . 74.420000000000002 111.541 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.518 0.199 . . . . 74.140000000000001 111.158 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -101.91 126.13 48.75 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.896 -0.593 . . . . 62.130000000000003 109.692 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.56 4.65 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 116.054 -0.521 . . . . 73.010000000000005 113.287 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.539 0.538 0 C-N-CA 122.797 0.439 . . . . 50.520000000000003 111.008 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 CA-C-O 120.247 -0.196 . . . . 24.329999999999998 112.755 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.8 153.4 19.16 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.603 0.361 . . . . 75.510000000000005 110.978 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 119.88 24.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.133 -0.485 . . . . 75.120000000000005 110.985 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -107.13 116.06 31.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.742 -0.663 . . . . 73.209999999999994 110.599 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.76 -49.46 0.57 Allowed Glycine 0 C--N 1.338 0.657 0 CA-C-N 115.927 -0.579 . . . . 65.430000000000007 112.951 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.38 -40.88 11.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.366 0.266 . . . . 74.140000000000001 111.646 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.08 147.7 22.63 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.384 0.427 . . . . 73.200000000000003 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -95.16 85.33 4.28 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.311 0.577 . . . . 51.43 111.105 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -144.83 139.51 27.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.316 -0.856 . . . . 74.349999999999994 110.025 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -94.46 157.02 16.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.75 -0.659 . . . . 71.420000000000002 111.208 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -83.9 138.59 33.09 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.702 -0.681 . . . . 62.450000000000003 111.714 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.2 -31.9 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.793 -0.639 . . . . 64.540000000000006 112.007 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 p -96.89 -28.07 14.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.038 -0.528 . . . . 73.129999999999995 111.083 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 100.84 45.5 1.91 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.051 -0.522 . . . . 74.209999999999994 113.334 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.0 t80 -143.46 113.69 7.34 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.065 0.46 . . . . 61.299999999999997 111.428 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.4 111.12 20.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.262 -0.881 . . . . 71.239999999999995 109.801 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 26' ' ' THR . 0.3 OUTLIER -77.79 119.64 21.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.194 -0.457 . . . . 63.039999999999999 110.949 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -84.42 -35.62 22.96 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.06 0.763 . . . . 53.539999999999999 113.06 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -37.8 82.97 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.58 0.229 . . . . 63.240000000000002 111.197 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 23' ' ' ASP . 71.2 p -98.32 -10.99 23.02 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.774 -0.648 . . . . 40.32 111.146 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 57.1 43.34 24.37 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 71.409999999999997 111.796 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -145.18 160.86 40.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.567 -0.742 . . . . 74.430000000000007 111.452 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 131.86 34.32 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.931 -0.577 . . . . 73.510000000000005 111.05 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.46 175.0 9.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.216 -0.447 . . . . 71.310000000000002 110.946 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -88.8 151.4 22.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.795 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 tttt . . . . . 0 CA--C 1.535 0.402 0 CA-C-N 116.073 -0.512 . . . . 74.420000000000002 111.028 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.6 m95 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 120.493 0.187 . . . . 74.140000000000001 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 34.7 t -129.07 140.68 51.49 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.889 -0.596 . . . . 62.130000000000003 110.668 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.02 170.97 22.12 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 115.652 -0.704 . . . . 73.010000000000005 112.503 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 119.133 -0.461 . . . . 50.520000000000003 110.763 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.483 0 N-CA-C 112.434 -0.266 . . . . 24.329999999999998 112.434 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.57 153.07 20.61 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.771 0.428 . . . . 75.510000000000005 110.991 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.486 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -80.08 134.01 36.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.088 -0.505 . . . . 75.120000000000005 110.932 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.7 t -104.39 145.11 30.73 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.869 -0.605 . . . . 73.209999999999994 111.039 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.37 -152.06 6.35 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.799 -0.637 . . . . 65.430000000000007 112.534 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.55 -41.25 6.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.275 0.23 . . . . 74.140000000000001 111.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.36 6.21 47.76 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 123.342 0.401 . . . . 73.200000000000003 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 9' ' ' THR . 75.9 mtt180 -92.99 171.56 8.87 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.134 -0.485 . . . . 51.43 111.115 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.84 170.48 15.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.259 -0.428 . . . . 74.349999999999994 111.868 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.618 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 88.3 m-85 -90.99 153.02 20.46 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 111.145 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.2 m -104.68 139.4 39.56 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 62.450000000000003 111.228 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.2 m -52.8 -31.36 38.27 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.463 0.912 . . . . 64.540000000000006 113.463 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -85.46 -29.04 24.63 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.867 0.321 . . . . 73.129999999999995 111.867 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.31 24.72 67.67 Favored Glycine 0 C--N 1.342 0.868 0 O-C-N 123.382 0.427 . . . . 74.209999999999994 113.971 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -127.99 120.04 26.73 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.99 0.424 . . . . 61.299999999999997 110.969 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.5 m -114.19 119.69 37.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.176 -0.92 . . . . 71.239999999999995 110.373 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.16 123.51 32.27 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.905 -0.589 . . . . 63.039999999999999 110.767 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.31 -7.47 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.509 -0.769 . . . . 53.539999999999999 112.449 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -73.47 -24.26 60.18 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.456 0.302 . . . . 63.240000000000002 111.108 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -139.96 1.33 1.85 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.685 -0.688 . . . . 40.32 111.169 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 tttt 57.91 44.03 20.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.898 0.879 . . . . 71.409999999999997 111.248 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -135.95 160.1 39.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.529 -0.759 . . . . 74.430000000000007 111.691 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 m -82.06 130.92 35.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.45 -0.795 . . . . 73.510000000000005 111.701 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -132.76 163.29 29.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.463 -0.79 . . . . 71.310000000000002 110.933 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.58 125.44 34.8 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.166 -0.47 . . . . 62.43 110.862 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttt . . . . . 0 C--O 1.235 0.342 0 CA-C-N 115.885 -0.598 . . . . 74.420000000000002 110.728 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.534 0.207 . . . . 74.140000000000001 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -115.98 142.86 46.22 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.023 -0.535 . . . . 62.130000000000003 110.308 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.43 132.8 11.39 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.99 -0.55 . . . . 73.010000000000005 112.861 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 122.674 0.389 . . . . 50.520000000000003 111.263 -179.613 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.456 0 CA-C-O 120.233 -0.204 . . . . 24.329999999999998 112.729 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.82 152.79 21.1 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.632 0.373 . . . . 75.510000000000005 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 140.67 29.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.029 -0.532 . . . . 75.120000000000005 111.146 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 75.3 m -108.05 148.45 29.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 73.209999999999994 110.877 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.72 -61.06 0.28 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.875 -0.602 . . . . 65.430000000000007 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -98.15 153.31 18.54 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.686 0.286 . . . . 74.140000000000001 110.871 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.47 99.18 11.71 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.079 -0.51 . . . . 73.200000000000003 111.174 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -142.8 -47.71 0.32 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.424 -0.807 . . . . 51.43 110.532 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -135.66 137.33 41.72 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 116.015 -0.539 . . . . 74.349999999999994 110.241 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -94.89 153.89 17.48 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.676 -0.693 . . . . 71.420000000000002 110.768 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.5 m -90.16 139.12 30.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.968 -0.56 . . . . 62.450000000000003 111.416 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.8 m -56.19 -26.35 50.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.195 0.813 . . . . 64.540000000000006 113.195 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -91.11 -29.01 17.54 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.068 0.23 . . . . 73.129999999999995 111.606 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.78 51.36 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.156 0.423 . . . . 74.209999999999994 114.156 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 20.7 t80 -136.9 121.05 17.85 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.892 0.377 . . . . 61.299999999999997 111.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 m -114.04 117.44 31.3 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 71.239999999999995 110.625 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.07 124.81 34.65 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.818 -0.628 . . . . 63.039999999999999 110.65 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.29 -7.24 59.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.589 -0.732 . . . . 53.539999999999999 112.473 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -73.36 -25.34 60.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.456 0.302 . . . . 63.240000000000002 111.122 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -139.46 1.49 1.96 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.801 -0.636 . . . . 40.32 111.206 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.22 46.17 16.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.875 0.87 . . . . 71.409999999999997 111.433 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.34 158.1 44.32 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.45 -0.795 . . . . 74.430000000000007 111.527 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 17.6 m -80.62 132.49 35.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.595 -0.729 . . . . 73.510000000000005 111.686 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.5 mttt -131.33 166.85 20.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.443 -0.799 . . . . 71.310000000000002 111.059 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.37 140.35 29.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 62.43 110.629 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mttm . . . . . 0 N--CA 1.468 0.425 0 O-C-N 123.439 0.462 . . . . 74.420000000000002 111.241 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.591 0.234 . . . . 74.140000000000001 111.072 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 134.4 51.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.787 -0.642 . . . . 62.130000000000003 110.104 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 137.83 14.11 Favored Glycine 0 C--N 1.337 0.594 0 O-C-N 123.605 0.566 . . . . 73.010000000000005 112.892 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 122.569 0.348 . . . . 50.520000000000003 111.232 -179.737 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 112.544 -0.222 . . . . 24.329999999999998 112.544 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -98.66 153.19 18.88 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.757 0.423 . . . . 75.510000000000005 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.01 121.34 22.6 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.115 -0.493 . . . . 75.120000000000005 110.957 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.6 t -98.08 127.4 44.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.762 -0.654 . . . . 73.209999999999994 111.035 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.5 -122.54 4.85 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.719 -0.673 . . . . 65.430000000000007 112.317 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.04 -53.02 1.21 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.539 0.199 . . . . 74.140000000000001 110.99 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -142.4 77.2 1.57 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.27 0.557 . . . . 73.200000000000003 110.866 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.68 -58.69 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.578 -0.737 . . . . 51.43 110.525 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -149.68 136.28 19.27 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.832 0.453 . . . . 74.349999999999994 110.241 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -98.48 143.45 28.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.651 -0.704 . . . . 71.420000000000002 110.307 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.2 138.91 31.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 62.450000000000003 111.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -19.27 61.49 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.1 0.778 . . . . 64.540000000000006 113.1 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -87.96 -28.74 21.28 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.279 0.362 . . . . 73.129999999999995 111.708 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.25 60.26 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 123.377 0.423 . . . . 74.209999999999994 113.954 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.588 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.4 t80 -95.71 116.92 29.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.963 0.411 . . . . 61.299999999999997 111.327 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.6 m -114.99 111.57 21.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.264 -0.88 . . . . 71.239999999999995 110.275 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -81.93 120.36 25.12 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.112 -0.494 . . . . 63.039999999999999 110.977 179.493 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -85.92 -7.91 58.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.527 -0.76 . . . . 53.539999999999999 112.269 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -77.68 -22.23 50.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.463 0.305 . . . . 63.240000000000002 111.106 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.76 1.38 2.09 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.866 -0.606 . . . . 40.32 111.286 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.6 mttt 58.43 42.13 21.72 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.791 0.837 . . . . 71.409999999999997 111.625 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.7 p -137.72 154.18 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.449 -0.796 . . . . 74.430000000000007 111.605 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.43 138.22 32.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.485 -0.78 . . . . 73.510000000000005 111.545 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 94.2 mttt -137.57 178.01 7.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.681 -0.69 . . . . 71.310000000000002 110.827 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.54 145.08 25.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.33 -0.396 . . . . 62.43 110.631 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.7 tttt . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 116.057 -0.52 . . . . 74.420000000000002 111.289 -179.692 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.476 0.179 . . . . 74.140000000000001 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.17 151.68 37.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.974 -0.557 . . . . 62.130000000000003 110.672 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -86.05 159.76 32.99 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-N 115.952 -0.567 . . . . 73.010000000000005 113.155 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 119.089 -0.481 . . . . 50.520000000000003 111.031 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 112.413 -0.275 . . . . 24.329999999999998 112.413 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.23 153.41 18.07 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 122.812 0.445 . . . . 75.510000000000005 111.144 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -74.3 124.76 27.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.041 -0.527 . . . . 75.120000000000005 111.2 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.4 m -96.48 138.64 33.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.874 -0.603 . . . . 73.209999999999994 111.035 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.22 -152.49 9.36 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.661 0.6 . . . . 65.430000000000007 112.582 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.46 -40.67 6.59 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.64 0.259 . . . . 74.140000000000001 111.257 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.66 -1.7 54.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.246 -0.434 . . . . 73.200000000000003 111.557 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.46 174.49 7.35 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.198 -0.455 . . . . 51.43 111.193 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.3 tt -72.01 151.65 43.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.21 -0.45 . . . . 74.349999999999994 111.276 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.581 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -71.82 151.6 43.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.115 -0.493 . . . . 71.420000000000002 111.204 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.73 137.96 35.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.798 -0.637 . . . . 62.450000000000003 111.959 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -9.98 39.76 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.502 -0.772 . . . . 64.540000000000006 111.597 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -89.45 -28.65 19.56 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.307 0.379 . . . . 73.129999999999995 111.56 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -40.98 2.59 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 121.401 -0.428 . . . . 74.209999999999994 113.631 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -92.05 117.01 29.43 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.165 0.507 . . . . 61.299999999999997 111.827 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -114.2 119.43 37.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.994 -1.003 . . . . 71.239999999999995 110.15 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 121.14 27.0 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.886 -0.597 . . . . 63.039999999999999 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.66 -10.05 57.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.437 -0.801 . . . . 53.539999999999999 112.231 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.09 -19.83 59.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.473 0.309 . . . . 63.240000000000002 111.095 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -136.54 -0.83 2.35 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.666 -0.697 . . . . 40.32 111.169 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 9' ' ' THR . 58.0 mmtt 58.95 37.23 24.67 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.868 0.867 . . . . 71.409999999999997 111.728 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -136.26 161.77 34.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 74.430000000000007 111.432 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 136.83 34.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.156 -0.474 . . . . 73.510000000000005 112.056 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -136.13 162.09 33.9 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.405 -0.816 . . . . 71.310000000000002 111.073 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.51 127.8 35.54 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.149 -0.478 . . . . 62.43 110.93 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 115.949 -0.568 . . . . 74.420000000000002 111.126 -179.819 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.476 -0.249 . . . . 64.329999999999998 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -96.37 156.68 16.24 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.382 0.273 . . . . 74.140000000000001 110.971 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.5 t -126.78 154.79 43.78 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.894 -0.593 . . . . 62.130000000000003 110.639 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.06 129.12 9.3 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.922 -0.581 . . . . 73.010000000000005 112.807 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.77 154.36 20.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.71 0.404 . . . . 50.520000000000003 111.233 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.81 -2.1 25.93 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.62 -0.718 . . . . 24.329999999999998 112.632 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.41 153.03 17.89 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.699 0.4 . . . . 75.510000000000005 111.001 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -80.6 122.63 27.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.219 -0.446 . . . . 75.120000000000005 111.587 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -110.82 133.17 53.58 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.851 -0.613 . . . . 73.209999999999994 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.81 -71.13 0.43 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.922 -0.581 . . . . 65.430000000000007 112.74 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.13 -15.19 21.06 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.822 0.304 . . . . 74.140000000000001 111.822 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 14' ' ' ARG . 4.0 tp -93.45 164.93 13.0 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.255 0.347 . . . . 73.200000000000003 111.066 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 98.8 mtt180 -78.56 -176.33 4.77 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.016 -0.538 . . . . 51.43 111.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt 69.53 145.06 0.05 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.197 0.999 . . . . 74.349999999999994 112.069 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -108.74 169.07 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.438 -0.801 . . . . 71.420000000000002 110.994 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -82.55 138.37 34.29 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.99 -0.55 . . . . 62.450000000000003 111.628 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.9 -34.72 79.08 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.865 -0.607 . . . . 64.540000000000006 112.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -92.86 -28.07 16.74 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.104 -0.498 . . . . 73.129999999999995 111.227 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 96.15 38.03 4.7 Favored Glycine 0 C--N 1.34 0.773 0 O-C-N 123.559 0.537 . . . . 74.209999999999994 113.278 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -140.37 114.99 9.46 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.038 0.447 . . . . 61.299999999999997 111.29 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 m -115.01 120.35 39.56 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.168 -0.924 . . . . 71.239999999999995 109.885 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.32 122.08 26.46 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 111.194 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 t -88.05 -8.24 55.84 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.518 -0.764 . . . . 53.539999999999999 112.083 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.21 -20.04 57.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.449 0.3 . . . . 63.240000000000002 111.244 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.5 -1.8 1.84 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.813 -0.63 . . . . 40.32 111.223 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.36 51.88 7.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.787 0.835 . . . . 71.409999999999997 111.534 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -140.3 162.15 35.97 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.481 -0.782 . . . . 74.430000000000007 111.504 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 126.18 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.872 -0.604 . . . . 73.510000000000005 110.868 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 88.1 mttt -133.01 158.24 43.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.031 -0.531 . . . . 71.310000000000002 111.293 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.01 143.04 27.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.982 -0.554 . . . . 62.43 110.766 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -93.45 146.59 23.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 111.117 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 p -99.87 144.52 28.84 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.836 -0.62 . . . . 72.25 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 p -100.73 135.95 41.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.852 -0.613 . . . . 65.25 110.953 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.106 -0.949 . . . . 62.420000000000002 111.082 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.491 -0.244 . . . . 64.329999999999998 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -96.24 156.73 16.22 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.272 . . . . 74.140000000000001 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -107.57 147.35 30.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.016 -0.538 . . . . 62.130000000000003 110.257 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 119.45 5.79 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 113.074 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.65 153.95 19.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.721 0.408 . . . . 50.520000000000003 111.096 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.64 8.16 21.22 Favored Glycine 0 CA--C 1.523 0.575 0 CA-C-N 115.592 -0.731 . . . . 24.329999999999998 112.889 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.89 153.13 19.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.495 0.318 . . . . 75.510000000000005 111.067 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.551 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.27 122.65 29.75 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.026 -0.534 . . . . 75.120000000000005 110.812 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -107.43 129.03 54.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.892 -0.595 . . . . 73.209999999999994 110.865 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.53 -53.24 0.65 Allowed Glycine 0 C--N 1.337 0.618 0 O-C-N 123.596 0.56 . . . . 65.430000000000007 112.883 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.14 -20.0 18.28 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.02 0.378 . . . . 74.140000000000001 112.02 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 9' ' ' THR . 5.9 mp -92.01 155.77 17.88 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.193 0.308 . . . . 73.200000000000003 111.402 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -88.44 -3.73 58.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.779 -0.646 . . . . 51.43 111.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -89.91 129.49 36.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.365 -0.379 . . . . 74.349999999999994 110.618 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.58 170.6 9.22 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.639 -0.709 . . . . 71.420000000000002 111.195 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.4 m -79.27 139.11 37.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.08 -0.509 . . . . 62.450000000000003 111.714 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -57.56 -29.67 64.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.906 -0.588 . . . . 64.540000000000006 112.485 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 p -91.86 -27.97 17.61 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.447 0.467 . . . . 73.129999999999995 111.411 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.83 36.63 4.96 Favored Glycine 0 C--N 1.34 0.784 0 O-C-N 123.52 0.512 . . . . 74.209999999999994 113.198 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 30.3 t80 -141.63 122.14 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.899 0.38 . . . . 61.299999999999997 111.082 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.2 m -114.22 123.44 49.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.274 -0.875 . . . . 71.239999999999995 110.127 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.552 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -88.19 120.56 29.66 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.136 -0.484 . . . . 63.039999999999999 110.647 179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.9 p -85.24 -7.45 59.02 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.539 -0.755 . . . . 53.539999999999999 112.484 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -73.97 -25.28 59.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.425 0.29 . . . . 63.240000000000002 111.232 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.59 0.58 1.85 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.276 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.17 53.41 6.62 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.758 0.823 . . . . 71.409999999999997 111.296 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -137.26 162.33 33.8 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.408 -0.815 . . . . 74.430000000000007 111.944 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.95 125.9 32.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.337 -0.847 . . . . 73.510000000000005 111.254 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.8 mttt -135.93 159.97 40.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.864 -0.607 . . . . 71.310000000000002 110.918 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.59 143.19 27.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.046 -0.524 . . . . 62.43 110.771 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -92.57 139.12 30.9 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.54 0.525 . . . . 74.420000000000002 110.824 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.2 m -100.43 142.29 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 72.25 110.945 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -127.78 144.61 51.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.896 -0.593 . . . . 65.25 110.725 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.494 -0.765 . . . . 62.420000000000002 111.112 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.459 -0.256 . . . . 64.329999999999998 112.459 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.4 m-90 -96.37 148.72 22.48 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.337 0.255 . . . . 74.140000000000001 110.991 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -110.02 157.28 19.47 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.929 -0.578 . . . . 62.130000000000003 110.705 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.84 138.02 14.89 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 116.064 -0.516 . . . . 73.010000000000005 112.868 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.61 159.16 16.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.627 0.371 . . . . 50.520000000000003 111.109 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.96 11.48 37.08 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.687 -0.688 . . . . 24.329999999999998 112.686 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.86 153.35 19.22 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.643 0.377 . . . . 75.510000000000005 111.112 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.14 132.61 36.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.009 -0.541 . . . . 75.120000000000005 110.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.74 125.77 42.73 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.882 -0.599 . . . . 73.209999999999994 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.81 -124.21 0.7 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.899 -0.592 . . . . 65.430000000000007 112.735 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.79 -39.71 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.636 0.257 . . . . 74.140000000000001 111.317 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.08 -12.59 37.98 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.354 0.409 . . . . 73.200000000000003 111.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -93.37 171.39 8.95 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.415 0.447 . . . . 51.43 111.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.7 155.28 37.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.733 0.413 . . . . 74.349999999999994 111.898 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.08 166.38 13.9 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.757 -0.656 . . . . 71.420000000000002 111.258 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.5 m -82.04 138.24 34.89 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.072 -0.513 . . . . 62.450000000000003 111.317 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -73.15 -16.57 61.44 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.026 -0.534 . . . . 64.540000000000006 112.055 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -98.6 -28.25 13.64 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.452 0.47 . . . . 73.129999999999995 111.115 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 36.76 5.42 Favored Glycine 0 C--N 1.341 0.841 0 O-C-N 123.552 0.533 . . . . 74.209999999999994 113.37 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 28.0 t80 -141.24 119.94 12.54 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.928 0.394 . . . . 61.299999999999997 111.192 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.1 m -114.14 120.88 42.01 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.152 -0.931 . . . . 71.239999999999995 110.078 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -87.52 121.86 30.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.138 -0.483 . . . . 63.039999999999999 110.664 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.8 m -84.06 -7.26 59.44 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.906 0.754 . . . . 53.539999999999999 112.453 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -73.37 -24.7 60.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.434 0.294 . . . . 63.240000000000002 111.073 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -140.05 0.02 1.71 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.741 -0.663 . . . . 40.32 111.232 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.96 51.9 8.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.842 0.857 . . . . 71.409999999999997 111.296 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -139.42 163.17 33.22 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.388 -0.823 . . . . 74.430000000000007 111.972 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.45 128.65 34.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.332 -0.849 . . . . 73.510000000000005 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.6 mttt -135.93 159.8 40.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.925 -0.58 . . . . 71.310000000000002 111.142 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.23 147.64 24.04 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 62.43 110.855 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 30.2 mmtt -90.76 -42.08 10.89 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.452 0.47 . . . . 74.420000000000002 111.422 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.3 m -110.6 141.72 43.42 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.444 0.465 . . . . 72.25 110.853 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.4 m -127.4 -42.35 1.67 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.869 -0.605 . . . . 65.25 111.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.102 -0.952 . . . . 62.420000000000002 111.13 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.521 -0.232 . . . . 64.329999999999998 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -96.37 153.42 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.329 0.252 . . . . 74.140000000000001 111.078 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -130.85 149.62 52.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.898 -0.592 . . . . 62.130000000000003 110.165 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.39 148.79 31.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.071 -0.513 . . . . 73.010000000000005 113.453 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -90.85 155.38 18.81 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.774 0.43 . . . . 50.520000000000003 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.78 12.34 12.89 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.444 -0.798 . . . . 24.329999999999998 112.503 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.53 153.37 18.21 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.728 0.411 . . . . 75.510000000000005 111.022 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.92 121.9 24.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.052 -0.522 . . . . 75.120000000000005 111.001 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 35.8 t -100.83 146.52 27.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.906 -0.588 . . . . 73.209999999999994 111.064 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.94 -120.68 0.96 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.672 -0.695 . . . . 65.430000000000007 112.178 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.54 84.8 2.82 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.281 0.562 . . . . 74.140000000000001 110.502 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.13 164.07 30.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.322 -0.854 . . . . 73.200000000000003 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.85 -28.16 28.2 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.17 -0.468 . . . . 51.43 111.507 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 tp -96.01 123.5 39.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.138 -0.483 . . . . 74.349999999999994 110.475 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -95.65 154.23 17.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.602 -0.726 . . . . 71.420000000000002 110.802 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -81.82 139.12 34.94 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.997 -0.547 . . . . 62.450000000000003 112.129 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -5.21 24.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.414 -0.812 . . . . 64.540000000000006 112.891 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.0 m -85.51 -28.77 24.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.01 0.374 . . . . 73.129999999999995 112.01 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.42 -42.59 3.14 Favored Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.453 -0.403 . . . . 74.209999999999994 113.628 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.53 126.12 35.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.95 0.405 . . . . 61.299999999999997 111.528 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 m -114.32 126.9 55.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 71.239999999999995 110.671 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -93.16 118.62 31.43 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.907 -0.588 . . . . 63.039999999999999 110.614 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -86.22 -8.1 58.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.514 -0.766 . . . . 53.539999999999999 112.181 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -76.81 -19.98 56.92 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.481 0.312 . . . . 63.240000000000002 111.162 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p -138.74 0.89 2.05 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.823 -0.626 . . . . 40.32 111.298 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.54 40.82 23.37 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.81 0.844 . . . . 71.409999999999997 111.764 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.1 p -132.26 158.01 42.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.573 -0.739 . . . . 74.430000000000007 111.483 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 10' ' ' CYS . 80.5 m -86.48 126.81 34.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.56 -0.745 . . . . 73.510000000000005 111.308 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.0 mttt -130.95 167.89 18.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.641 -0.708 . . . . 71.310000000000002 110.984 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.42 147.1 24.87 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.134 -0.485 . . . . 62.43 110.742 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -92.07 -39.57 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.544 0.527 . . . . 74.420000000000002 111.416 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -95.05 128.73 42.1 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.419 0.45 . . . . 72.25 111.166 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -129.93 147.54 51.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.824 -0.625 . . . . 65.25 110.766 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.518 -0.753 . . . . 62.420000000000002 111.125 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.511 -0.236 . . . . 64.329999999999998 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -96.35 146.84 24.39 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.614 0.243 . . . . 74.140000000000001 110.913 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 95.2 m -118.38 148.26 42.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.028 -0.533 . . . . 62.130000000000003 111.088 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 156.49 23.09 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.632 -0.713 . . . . 73.010000000000005 112.508 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.81 158.63 21.63 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 119.13 -0.462 . . . . 50.520000000000003 110.984 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.86 11.81 13.62 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.409 -0.814 . . . . 24.329999999999998 112.454 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -93.13 152.87 18.99 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 122.788 0.435 . . . . 75.510000000000005 110.792 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 126.45 30.79 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.37 0.419 . . . . 75.120000000000005 111.544 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.8 t -117.49 126.55 52.8 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.641 -0.709 . . . . 73.209999999999994 110.588 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.72 -49.46 0.14 Allowed Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.96 -0.564 . . . . 65.430000000000007 112.521 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.96 157.69 16.2 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.504 0.322 . . . . 74.140000000000001 110.949 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -88.13 93.52 9.52 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.21 0.528 . . . . 73.200000000000003 111.282 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -143.34 -46.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.29 -0.868 . . . . 51.43 110.527 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 16' ' ' TYR . 2.3 tt -133.7 142.76 48.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.988 -0.551 . . . . 74.349999999999994 110.244 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 91.5 m-85 -105.48 132.67 51.35 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.621 0.575 . . . . 71.420000000000002 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.56 138.0 31.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 62.450000000000003 111.219 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.77 -2.74 31.23 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.919 -0.582 . . . . 64.540000000000006 112.561 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' HA ' ' A' ' 31' ' ' ASP . 13.6 t -90.23 -29.13 18.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.642 -0.253 . . . . 73.129999999999995 111.352 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 -32.58 3.05 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 114.073 0.389 . . . . 74.209999999999994 114.073 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.22 120.4 32.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.049 0.452 . . . . 61.299999999999997 111.838 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -114.93 123.93 50.39 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.124 -0.943 . . . . 71.239999999999995 110.044 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.81 121.99 28.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.13 -0.486 . . . . 63.039999999999999 111.101 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.2 m -88.08 -9.93 51.74 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.537 -0.756 . . . . 53.539999999999999 112.116 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.21 -19.89 57.98 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.537 0.335 . . . . 63.240000000000002 111.187 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -138.1 -1.69 1.93 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 40.32 111.321 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.04 49.28 11.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.85 0.86 . . . . 71.409999999999997 111.559 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.1 p -139.45 157.8 45.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.393 -0.821 . . . . 74.430000000000007 111.736 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.18 125.02 30.42 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.523 -0.762 . . . . 73.510000000000005 111.224 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.8 mttt -131.86 161.85 32.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.719 -0.673 . . . . 71.310000000000002 111.258 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 8.1 m-20 -88.52 142.75 27.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.984 -0.553 . . . . 62.43 110.768 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -93.99 145.1 24.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.093 -0.503 . . . . 74.420000000000002 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.7 t -128.07 -43.26 1.5 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.839 -0.619 . . . . 72.25 111.033 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -101.92 140.29 36.4 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.426 0.454 . . . . 65.25 110.754 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.153 -0.927 . . . . 62.420000000000002 111.09 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.49 -0.244 . . . . 64.329999999999998 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -96.35 134.74 39.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.337 0.255 . . . . 74.140000000000001 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -101.56 136.91 40.6 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.862 -0.608 . . . . 62.130000000000003 110.595 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.69 143.61 16.83 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.936 -0.575 . . . . 73.010000000000005 112.931 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.96 159.5 23.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 122.793 0.437 . . . . 50.520000000000003 111.193 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.88 12.61 23.8 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.523 -0.762 . . . . 24.329999999999998 112.597 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 153.3 17.77 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.697 0.399 . . . . 75.510000000000005 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -81.26 137.7 35.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.819 -0.628 . . . . 75.120000000000005 110.99 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 86.4 m -95.69 152.87 18.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.928 -0.578 . . . . 73.209999999999994 111.354 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.86 -160.11 33.45 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.807 -0.633 . . . . 65.430000000000007 112.722 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -97.56 -44.31 6.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.374 0.27 . . . . 74.140000000000001 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.55 -3.49 54.98 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.367 0.417 . . . . 73.200000000000003 111.326 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -92.45 172.49 8.35 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.849 -0.614 . . . . 51.43 110.956 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -75.92 152.9 36.99 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.399 -0.364 . . . . 74.349999999999994 111.56 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' H ' HD23 ' A' ' 15' ' ' LEU . 88.5 m-85 -83.26 159.88 21.86 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.893 -0.594 . . . . 71.420000000000002 111.459 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 58.1 m -93.28 138.57 31.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.818 -0.628 . . . . 62.450000000000003 111.334 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.52 -14.8 61.28 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.589 0.556 . . . . 64.540000000000006 112.119 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.6 m -94.81 -28.4 15.27 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 73.129999999999995 111.595 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.71 -22.28 40.04 Favored Glycine 0 C--N 1.34 0.798 0 O-C-N 123.448 0.467 . . . . 74.209999999999994 113.603 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 31.3 t80 -95.38 123.01 38.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.986 0.422 . . . . 61.299999999999997 111.558 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.6 m -114.44 124.78 52.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.135 -0.939 . . . . 71.239999999999995 110.321 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.582 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.79 125.23 35.23 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.429 179.295 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -82.87 -7.21 59.68 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.044 0.84 . . . . 53.539999999999999 112.405 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -71.05 -27.57 63.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.438 0.295 . . . . 63.240000000000002 111.196 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -140.54 1.23 1.73 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.682 -0.69 . . . . 40.32 111.248 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.74 52.98 7.52 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.808 0.843 . . . . 71.409999999999997 111.139 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -139.04 166.57 24.15 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.444 -0.798 . . . . 74.430000000000007 112.176 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.73 130.9 35.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.32 -0.854 . . . . 73.510000000000005 111.358 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 78.2 mttt -139.66 157.65 45.42 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.495 0.497 . . . . 71.310000000000002 111.239 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.87 147.39 23.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.791 -0.64 . . . . 62.43 110.78 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -93.34 -42.35 9.35 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.42 0.45 . . . . 74.420000000000002 111.383 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -101.7 139.81 36.84 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.39 0.431 . . . . 72.25 110.975 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -127.38 -42.91 1.64 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.974 -0.557 . . . . 65.25 111.108 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.568 -0.73 . . . . 62.420000000000002 111.027 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.554 -0.218 . . . . 64.329999999999998 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -96.31 151.82 19.17 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.328 0.251 . . . . 74.140000000000001 110.92 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.96 151.71 33.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.959 -0.564 . . . . 62.130000000000003 110.412 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.81 137.48 14.84 Favored Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.812 -0.631 . . . . 73.010000000000005 112.819 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -87.99 159.09 18.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 119.261 -0.4 . . . . 50.520000000000003 111.243 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.28 12.58 15.05 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.58 -0.736 . . . . 24.329999999999998 112.68 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -91.46 153.03 20.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.638 0.375 . . . . 75.510000000000005 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 134.69 34.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.973 -0.558 . . . . 75.120000000000005 110.997 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.7 m -102.53 127.59 49.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.593 . . . . 73.209999999999994 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.12 -33.79 5.8 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.904 -0.589 . . . . 65.430000000000007 113.259 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.23 -39.02 12.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.826 0.306 . . . . 74.140000000000001 111.826 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.59 154.32 17.43 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.316 0.385 . . . . 73.200000000000003 111.264 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.96 -8.85 53.35 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.842 -0.617 . . . . 51.43 111.814 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -90.48 136.6 32.96 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.248 -0.433 . . . . 74.349999999999994 110.724 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -92.2 153.72 19.12 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.604 -0.725 . . . . 71.420000000000002 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 55.4 m -89.59 139.45 30.53 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.987 -0.552 . . . . 62.450000000000003 111.754 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -56.22 -19.83 15.54 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.571 0.952 . . . . 64.540000000000006 113.571 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -83.22 -29.06 28.8 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.931 0.345 . . . . 73.129999999999995 111.931 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.09 -27.57 4.44 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 114.156 0.423 . . . . 74.209999999999994 114.156 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -89.33 121.46 31.62 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.976 0.417 . . . . 61.299999999999997 111.666 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.48 123.37 49.23 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.137 -0.938 . . . . 71.239999999999995 110.25 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.562 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.13 124.77 34.64 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.005 -0.543 . . . . 63.039999999999999 110.908 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.38 -9.56 58.32 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.486 -0.779 . . . . 53.539999999999999 112.318 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -73.26 -21.96 60.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.47 0.308 . . . . 63.240000000000002 111.059 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -139.39 -0.32 1.8 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.674 -0.694 . . . . 40.32 111.137 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 57.8 42.07 23.96 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.849 0.86 . . . . 71.409999999999997 111.562 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.7 p -136.12 162.81 31.88 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.559 -0.746 . . . . 74.430000000000007 111.69 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 42.0 m -80.81 131.76 35.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.501 -0.772 . . . . 73.510000000000005 111.76 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 84.6 mttt -133.85 161.34 35.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.713 -0.676 . . . . 71.310000000000002 110.833 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.73 130.3 35.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.023 -0.535 . . . . 62.43 110.802 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -93.29 126.06 38.21 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 74.420000000000002 110.714 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -129.93 147.27 51.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.599 . . . . 72.25 111.034 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -108.16 135.48 49.44 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.84 -0.618 . . . . 65.25 110.897 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.096 -0.954 . . . . 62.420000000000002 111.114 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.453 -0.259 . . . . 64.329999999999998 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -96.24 130.57 43.28 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.322 0.249 . . . . 74.140000000000001 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 71.0 m -107.85 147.45 30.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.984 -0.553 . . . . 62.130000000000003 110.925 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.28 -174.15 31.38 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.676 -0.693 . . . . 73.010000000000005 112.755 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.82 155.06 16.97 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 119.328 -0.368 . . . . 50.520000000000003 110.65 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.63 12.67 16.14 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.298 -0.865 . . . . 24.329999999999998 112.25 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -86.04 153.19 22.3 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.969 0.508 . . . . 75.510000000000005 111.339 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.077 -0.51 . . . . 75.120000000000005 111.301 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.7 t -111.32 144.69 40.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.79 -0.641 . . . . 73.209999999999994 110.794 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.51 -140.74 4.68 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.646 0.591 . . . . 65.430000000000007 112.567 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.15 -40.76 9.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.417 0.287 . . . . 74.140000000000001 111.565 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.6 -9.88 53.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.253 -0.431 . . . . 73.200000000000003 111.712 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.56 166.16 12.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 51.43 110.975 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.91 168.67 19.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.24 -0.436 . . . . 74.349999999999994 111.557 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 10.6 t80 -90.12 145.67 24.87 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.312 -0.404 . . . . 71.420000000000002 110.797 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.9 m -98.82 139.06 35.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.849 -0.614 . . . . 62.450000000000003 111.256 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 m -72.1 -2.44 18.53 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.758 0.651 . . . . 64.540000000000006 112.758 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -84.56 -28.71 26.42 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.304 0.242 . . . . 73.129999999999995 111.544 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.65 15.71 72.63 Favored Glycine 0 C--N 1.343 0.929 0 O-C-N 123.485 0.491 . . . . 74.209999999999994 114.236 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 33.7 t80 -135.22 113.69 11.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 117.175 0.487 . . . . 61.299999999999997 111.507 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 108.97 17.1 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.088 -0.96 . . . . 71.239999999999995 109.928 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.21 120.53 21.62 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.187 -0.46 . . . . 63.039999999999999 111.084 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.5 m -85.67 -7.39 58.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.561 -0.745 . . . . 53.539999999999999 112.374 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -77.44 -23.64 50.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.476 0.311 . . . . 63.240000000000002 111.19 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -139.03 1.27 2.02 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.867 -0.606 . . . . 40.32 111.358 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.5 mttt 58.28 47.58 13.88 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.781 0.832 . . . . 71.409999999999997 111.475 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.7 p -139.58 153.96 47.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.594 -0.73 . . . . 74.430000000000007 111.814 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.91 133.44 34.72 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.414 -0.812 . . . . 73.510000000000005 111.335 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.5 170.75 15.55 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.568 0.542 . . . . 71.310000000000002 111.182 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.82 154.03 20.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.082 -0.508 . . . . 62.43 110.71 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.5 149.28 22.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.209 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 t -127.61 129.61 47.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.668 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -108.56 146.36 33.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.901 -0.591 . . . . 65.25 110.845 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.138 -0.934 . . . . 62.420000000000002 111.099 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.544 -0.222 . . . . 64.329999999999998 112.544 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -96.3 147.33 23.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.375 0.27 . . . . 74.140000000000001 111.004 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -100.11 146.72 26.47 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.901 -0.59 . . . . 62.130000000000003 110.631 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 125.16 8.38 Favored Glycine 0 C--N 1.338 0.649 0 O-C-N 123.574 0.546 . . . . 73.010000000000005 112.838 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.49 158.88 16.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 122.648 0.379 . . . . 50.520000000000003 110.938 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.71 -3.0 26.06 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.709 -0.678 . . . . 24.329999999999998 112.868 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.97 151.96 19.18 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.423 0.289 . . . . 75.510000000000005 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.06 123.71 32.43 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.898 -0.592 . . . . 75.120000000000005 110.891 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.7 p -121.84 122.59 39.8 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.575 0.547 . . . . 73.209999999999994 111.063 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.45 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.556 -0.747 . . . . 65.430000000000007 112.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -94.99 165.6 12.36 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.531 0.332 . . . . 74.140000000000001 110.566 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.4 89.77 6.14 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.407 0.622 . . . . 73.200000000000003 111.341 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.17 -46.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.201 -0.909 . . . . 51.43 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -132.22 149.21 52.43 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.56 0.537 . . . . 74.349999999999994 110.612 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' H ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -108.54 160.06 16.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.004 -0.544 . . . . 71.420000000000002 111.139 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -80.49 138.38 36.56 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.693 -0.685 . . . . 62.450000000000003 111.389 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.82 -36.32 82.11 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.032 -0.531 . . . . 64.540000000000006 112.178 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -96.42 -27.99 14.65 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.457 0.473 . . . . 73.129999999999995 111.05 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.47 32.58 5.97 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 116.096 -0.502 . . . . 74.209999999999994 113.05 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -141.71 119.99 12.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.779 0.323 . . . . 61.299999999999997 110.97 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.04 124.98 52.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.526 -0.761 . . . . 71.239999999999995 110.161 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -82.12 123.77 29.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.12 -0.491 . . . . 63.039999999999999 110.988 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 t -85.66 -7.49 58.78 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.946 0.779 . . . . 53.539999999999999 112.124 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.88 -22.51 56.07 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.496 0.318 . . . . 63.240000000000002 111.128 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.45 -1.47 1.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.784 -0.644 . . . . 40.32 111.224 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.3 51.73 8.08 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.867 0.867 . . . . 71.409999999999997 111.332 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 p -134.74 161.28 35.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.494 -0.775 . . . . 74.430000000000007 111.919 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 122.2 28.48 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.659 -0.7 . . . . 73.510000000000005 110.87 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 85.5 mttt -130.16 165.9 21.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.95 -0.568 . . . . 71.310000000000002 111.233 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.56 144.49 26.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.079 -0.509 . . . . 62.43 110.845 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -96.3 -43.28 7.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.017 -0.538 . . . . 74.420000000000002 111.108 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.3 m -121.22 142.78 49.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.926 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m -127.61 -42.13 1.65 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.857 -0.61 . . . . 65.25 111.274 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.539 -0.743 . . . . 62.420000000000002 111.119 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.501 -0.24 . . . . 64.329999999999998 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -96.34 151.92 19.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.343 0.257 . . . . 74.140000000000001 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.41 130.35 49.16 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.962 -0.563 . . . . 62.130000000000003 109.784 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 119.86 5.1 Favored Glycine 0 C--N 1.338 0.66 0 O-C-N 123.548 0.53 . . . . 73.010000000000005 113.343 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -93.32 155.24 17.52 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.851 0.46 . . . . 50.520000000000003 111.072 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.28 3.96 29.16 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-N 115.644 -0.707 . . . . 24.329999999999998 112.767 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.25 18.86 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 122.617 0.367 . . . . 75.510000000000005 111.037 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 117.03 22.83 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.041 -0.527 . . . . 75.120000000000005 110.919 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.68 121.63 43.98 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.821 -0.627 . . . . 73.209999999999994 110.777 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.4 -100.04 2.64 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.797 -0.638 . . . . 65.430000000000007 112.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -125.15 -54.0 1.61 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.654 0.267 . . . . 74.140000000000001 110.553 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.33 90.79 2.13 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.071 0.462 . . . . 73.200000000000003 110.877 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.64 -59.44 0.37 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.638 -0.71 . . . . 51.43 110.352 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -147.88 143.47 27.43 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.442 0.464 . . . . 74.349999999999994 110.008 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.67 158.2 15.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.824 -0.625 . . . . 71.420000000000002 111.215 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.616 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -85.8 138.47 32.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.827 -0.624 . . . . 62.450000000000003 111.658 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.98 69.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.875 -0.602 . . . . 64.540000000000006 111.935 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 p -99.15 -28.22 13.46 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.535 . . . . 73.129999999999995 111.0 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.616 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.91 45.9 2.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 116.069 -0.514 . . . . 74.209999999999994 113.321 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 26.1 t80 -145.91 113.91 6.53 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.064 0.459 . . . . 61.299999999999997 111.439 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.45 113.85 24.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.331 -0.85 . . . . 71.239999999999995 109.931 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.92 118.81 21.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.227 -0.442 . . . . 63.039999999999999 111.238 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 t -89.37 -9.34 50.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.508 -0.769 . . . . 53.539999999999999 111.906 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.68 -26.61 45.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.509 0.324 . . . . 63.240000000000002 111.042 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -128.98 -1.82 5.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.806 -0.634 . . . . 40.32 111.151 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.42 48.12 12.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.874 0.87 . . . . 71.409999999999997 111.571 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.11 157.34 45.43 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.56 -0.746 . . . . 74.430000000000007 111.589 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 130.36 34.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.836 -0.62 . . . . 73.510000000000005 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 89.9 mttt -137.57 169.63 17.46 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.368 0.418 . . . . 71.310000000000002 111.142 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 159.25 17.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.081 -0.508 . . . . 62.43 110.737 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -86.45 -42.34 13.67 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.418 -0.355 . . . . 74.420000000000002 111.419 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 m -114.23 150.38 34.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.925 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.3 m -97.81 -42.09 7.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.858 -0.61 . . . . 65.25 111.368 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.138 -0.934 . . . . 62.420000000000002 111.053 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.491 -0.244 . . . . 64.329999999999998 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.404 ' O ' HD21 ' A' ' 15' ' ' LEU . 85.8 m95 -96.35 131.32 43.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.317 0.247 . . . . 74.140000000000001 110.968 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -119.37 155.54 31.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.986 -0.552 . . . . 62.130000000000003 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.499 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -90.49 145.42 17.99 Favored Glycine 0 C--N 1.34 0.758 0 CA-C-N 116.008 -0.542 . . . . 73.010000000000005 113.075 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.95 159.64 15.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 119.179 -0.438 . . . . 50.520000000000003 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 10.28 37.34 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.572 -0.74 . . . . 24.329999999999998 112.715 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.0 153.64 19.03 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.608 0.363 . . . . 75.510000000000005 111.07 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.13 122.81 26.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.969 -0.559 . . . . 75.120000000000005 110.997 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -102.39 148.27 25.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.885 -0.598 . . . . 73.209999999999994 111.047 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.09 -142.73 4.8 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.855 -0.612 . . . . 65.430000000000007 112.61 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.75 -43.96 6.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.398 0.279 . . . . 74.140000000000001 111.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.98 -4.25 53.01 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.364 0.415 . . . . 73.200000000000003 111.467 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 9' ' ' THR . 35.6 mtm180 -91.76 174.82 7.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.998 -0.546 . . . . 51.43 110.962 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -71.84 155.42 40.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.746 0.418 . . . . 74.349999999999994 111.759 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' H ' HD23 ' A' ' 15' ' ' LEU . 89.5 m-85 -83.69 162.84 20.58 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.911 -0.586 . . . . 71.420000000000002 111.853 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.03 138.64 31.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.656 -0.702 . . . . 62.450000000000003 111.505 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.7 -30.33 64.13 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.898 -0.592 . . . . 64.540000000000006 111.984 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 m -92.73 -28.11 16.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.174 -0.466 . . . . 73.129999999999995 111.309 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.75 30.38 6.84 Favored Glycine 0 C--N 1.339 0.743 0 O-C-N 123.486 0.491 . . . . 74.209999999999994 113.363 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -139.71 115.3 10.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.001 0.429 . . . . 61.299999999999997 111.268 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.0 m -114.74 120.74 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.25 -0.886 . . . . 71.239999999999995 109.911 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.89 120.46 24.74 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 111.103 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -85.44 -9.79 57.03 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.368 -0.833 . . . . 53.539999999999999 112.331 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -74.42 -20.44 60.04 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.165 0.29 . . . . 63.240000000000002 111.144 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.47 -1.2 1.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.726 -0.67 . . . . 40.32 111.221 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.29 45.31 17.28 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.848 0.859 . . . . 71.409999999999997 111.543 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -131.03 161.32 32.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.499 -0.773 . . . . 74.430000000000007 111.598 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 126.16 33.39 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.753 -0.658 . . . . 73.510000000000005 111.031 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.1 mttt -133.66 160.63 36.95 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.954 -0.566 . . . . 71.310000000000002 111.127 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.44 143.46 26.97 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.028 -0.533 . . . . 62.43 110.835 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -94.48 -43.41 8.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.009 -0.541 . . . . 74.420000000000002 111.079 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.8 p -105.77 145.59 30.94 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.332 0.395 . . . . 72.25 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -127.48 -42.69 1.63 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.84 -0.618 . . . . 65.25 111.224 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.943 0.897 . . . . 62.420000000000002 112.256 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.54 -0.224 . . . . 64.329999999999998 112.54 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -96.23 140.83 30.35 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.384 0.273 . . . . 74.140000000000001 111.065 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.36 134.06 45.0 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.626 0.579 . . . . 62.130000000000003 110.571 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.81 136.9 13.29 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.588 0.555 . . . . 73.010000000000005 113.043 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.63 158.94 16.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 119.23 -0.414 . . . . 50.520000000000003 111.017 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.16 9.39 36.72 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.653 -0.703 . . . . 24.329999999999998 112.725 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.04 153.26 19.36 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.564 0.346 . . . . 75.510000000000005 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -83.89 122.63 28.98 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 75.120000000000005 110.727 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.96 150.33 22.99 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.902 -0.59 . . . . 73.209999999999994 111.299 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.99 -135.41 2.18 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 115.818 -0.628 . . . . 65.430000000000007 112.455 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -103.02 -46.25 4.71 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.277 0.231 . . . . 74.140000000000001 111.149 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.54 3.74 50.54 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.384 0.427 . . . . 73.200000000000003 111.25 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 9' ' ' THR . 73.1 mtt180 -91.69 177.09 6.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.025 -0.534 . . . . 51.43 111.156 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -71.14 152.98 42.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 122.789 0.436 . . . . 74.349999999999994 111.727 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -81.79 160.52 23.54 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.851 -0.613 . . . . 71.420000000000002 111.386 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.25 138.63 31.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.776 -0.647 . . . . 62.450000000000003 111.768 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 m -69.53 -34.8 74.76 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.781 -0.645 . . . . 64.540000000000006 112.089 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -92.33 -28.11 17.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 111.239 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 99.15 31.32 6.26 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.418 0.449 . . . . 74.209999999999994 113.309 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.69 116.73 11.7 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.988 0.423 . . . . 61.299999999999997 111.061 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.5 m -114.48 121.89 44.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.302 -0.863 . . . . 71.239999999999995 110.09 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -82.36 120.77 25.84 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 116.2 -0.455 . . . . 63.039999999999999 111.032 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -84.68 -7.38 59.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.431 -0.804 . . . . 53.539999999999999 112.347 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -72.91 -24.83 60.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.455 0.302 . . . . 63.240000000000002 111.142 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.72 1.39 1.9 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.737 -0.665 . . . . 40.32 111.231 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.38 46.72 14.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.876 0.87 . . . . 71.409999999999997 111.431 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -128.52 161.67 29.03 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.4 -0.818 . . . . 74.430000000000007 111.629 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 125.43 33.51 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.731 -0.668 . . . . 73.510000000000005 111.018 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.6 mttt -133.66 159.9 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.87 -0.604 . . . . 71.310000000000002 111.06 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.5 143.51 26.93 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.039 -0.528 . . . . 62.43 110.871 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -93.28 -42.47 9.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.046 -0.525 . . . . 74.420000000000002 111.171 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 p -99.73 142.08 31.69 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.401 0.438 . . . . 72.25 110.997 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -127.38 -42.7 1.65 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.838 -0.619 . . . . 65.25 111.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 123.876 0.87 . . . . 62.420000000000002 112.237 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.509 -0.236 . . . . 64.329999999999998 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -96.33 148.57 22.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.38 0.272 . . . . 74.140000000000001 110.993 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.5 127.73 46.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.877 -0.601 . . . . 62.130000000000003 110.637 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.47 141.01 15.37 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.931 -0.577 . . . . 73.010000000000005 112.692 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.56 159.13 25.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.826 0.45 . . . . 50.520000000000003 111.356 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.79 12.46 12.66 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.483 -0.781 . . . . 24.329999999999998 112.463 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -88.68 152.96 21.48 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 122.758 0.423 . . . . 75.510000000000005 110.934 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 131.58 35.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 111.545 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -107.95 150.36 27.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.64 -0.709 . . . . 73.209999999999994 110.792 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.96 -57.15 0.45 Allowed Glycine 0 C--N 1.337 0.593 0 O-C-N 123.563 0.539 . . . . 65.430000000000007 112.59 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -96.28 153.34 17.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.385 0.274 . . . . 74.140000000000001 110.956 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.74 94.85 9.21 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.244 0.545 . . . . 73.200000000000003 110.681 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -143.0 -41.91 0.31 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.422 -0.808 . . . . 51.43 110.892 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.4 tt -125.99 144.49 50.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.087 -0.506 . . . . 74.349999999999994 110.52 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.7 t80 -95.18 133.25 39.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 71.420000000000002 110.271 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.37 138.52 37.7 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.105 -0.498 . . . . 62.450000000000003 111.965 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.38 -28.87 65.44 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.603 -0.726 . . . . 64.540000000000006 112.453 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t -91.71 -28.65 17.3 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.364 0.415 . . . . 73.129999999999995 111.679 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.16 -27.98 7.1 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 123.333 0.396 . . . . 74.209999999999994 113.688 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -90.12 120.53 31.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.969 0.414 . . . . 61.299999999999997 111.461 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.11 122.38 47.39 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.931 . . . . 71.239999999999995 110.585 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.81 120.94 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.819 -0.628 . . . . 63.039999999999999 110.824 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 p -85.48 -9.33 57.6 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.41 -0.813 . . . . 53.539999999999999 112.259 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -76.2 -19.92 57.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.523 0.329 . . . . 63.240000000000002 111.134 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -136.05 -0.47 2.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.736 -0.665 . . . . 40.32 111.232 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.57 39.32 24.89 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.78 0.832 . . . . 71.409999999999997 111.769 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.4 p -139.09 160.7 39.16 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.604 -0.725 . . . . 74.430000000000007 111.323 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 134.74 34.21 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.116 -0.493 . . . . 73.510000000000005 111.558 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 89.9 mttt -132.91 163.86 28.22 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.494 -0.775 . . . . 71.310000000000002 110.968 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.6 128.23 35.57 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.777 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -93.37 141.93 27.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.035 -0.53 . . . . 74.420000000000002 110.847 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -127.69 133.93 49.59 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.858 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.3 m -127.74 142.08 51.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.82 -0.627 . . . . 65.25 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.183 -0.913 . . . . 62.420000000000002 111.173 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.533 -0.227 . . . . 64.329999999999998 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.31 154.42 17.27 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.361 0.264 . . . . 74.140000000000001 111.053 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 t -125.47 155.52 40.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.908 -0.587 . . . . 62.130000000000003 110.762 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 169.83 31.56 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 115.816 -0.629 . . . . 73.010000000000005 112.939 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.8 159.86 15.2 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.182 -0.437 . . . . 50.520000000000003 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.25 13.04 37.25 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.684 -0.689 . . . . 24.329999999999998 112.251 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 153.64 22.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.073 0.549 . . . . 75.510000000000005 111.694 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m -77.07 125.44 29.32 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.727 -0.669 . . . . 75.120000000000005 111.048 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.2 m -96.84 152.62 18.51 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 73.209999999999994 111.401 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.23 -152.57 12.94 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.84 -0.618 . . . . 65.430000000000007 112.532 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -101.53 -44.55 5.56 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.607 0.239 . . . . 74.140000000000001 111.218 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.67 0.9 56.68 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.374 0.421 . . . . 73.200000000000003 111.397 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -92.52 173.25 7.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.089 -0.505 . . . . 51.43 111.214 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -71.97 158.51 35.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.827 0.451 . . . . 74.349999999999994 111.845 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.619 ' H ' HD23 ' A' ' 15' ' ' LEU . 87.8 m-85 -75.64 153.44 37.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.066 -0.515 . . . . 71.420000000000002 111.778 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -97.81 138.33 35.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.68 -0.691 . . . . 62.450000000000003 111.709 -179.437 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.18 -19.01 30.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.676 -0.693 . . . . 64.540000000000006 111.956 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -86.37 -28.44 23.61 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.964 0.357 . . . . 73.129999999999995 111.964 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.02 -39.53 2.91 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 121.366 -0.445 . . . . 74.209999999999994 113.439 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 40.6 t80 -92.08 116.86 29.3 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.074 0.464 . . . . 61.299999999999997 111.674 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.0 m -114.55 120.22 39.45 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.003 -0.999 . . . . 71.239999999999995 109.984 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.2 127.94 33.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.007 -0.542 . . . . 63.039999999999999 110.831 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.7 m -83.9 -9.23 58.88 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.941 0.776 . . . . 53.539999999999999 112.352 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.0 -22.8 60.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.472 0.309 . . . . 63.240000000000002 111.081 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -139.43 -1.01 1.73 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.598 -0.728 . . . . 40.32 111.153 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.8 mttt 57.16 46.6 18.65 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.867 0.867 . . . . 71.409999999999997 111.513 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -140.92 163.94 31.6 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.633 -0.712 . . . . 74.430000000000007 111.956 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 132.71 38.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.855 -0.611 . . . . 73.510000000000005 111.872 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 21' ' ' PHE . 23.4 mttm -136.24 161.98 34.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.477 -0.783 . . . . 71.310000000000002 110.934 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.55 142.88 27.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.088 -0.505 . . . . 62.43 111.0 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -94.67 -41.66 9.17 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.069 -0.514 . . . . 74.420000000000002 111.075 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -99.94 137.72 38.01 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.398 0.436 . . . . 72.25 110.914 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -100.86 145.31 28.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.947 -0.57 . . . . 65.25 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.549 -0.739 . . . . 62.420000000000002 111.097 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.548 -0.221 . . . . 64.329999999999998 112.548 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -96.32 144.08 26.81 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.343 0.257 . . . . 74.140000000000001 110.917 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 t -113.15 146.91 38.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.058 -0.519 . . . . 62.130000000000003 110.755 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.93 136.81 13.7 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.855 -0.611 . . . . 73.010000000000005 112.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -84.43 154.85 22.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.78 0.432 . . . . 50.520000000000003 111.314 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.72 9.67 18.4 Favored Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.463 -0.789 . . . . 24.329999999999998 112.427 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.81 153.21 18.41 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.827 0.451 . . . . 75.510000000000005 110.892 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.72 121.62 22.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 75.120000000000005 111.345 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.73 128.92 53.98 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.687 -0.688 . . . . 73.209999999999994 110.767 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.28 -47.42 0.23 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.871 -0.604 . . . . 65.430000000000007 112.645 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.34 152.8 18.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.507 0.323 . . . . 74.140000000000001 110.889 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tt -93.31 94.18 8.61 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.18 0.514 . . . . 73.200000000000003 110.713 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -144.7 -43.56 0.24 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.483 -0.781 . . . . 51.43 110.892 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -130.48 149.11 52.3 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.493 0.496 . . . . 74.349999999999994 110.772 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -93.06 152.47 19.26 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.042 -0.526 . . . . 71.420000000000002 110.843 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.83 138.76 33.02 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.851 -0.613 . . . . 62.450000000000003 111.408 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.57 -28.21 60.83 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.833 -0.621 . . . . 64.540000000000006 112.298 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 p -93.07 -28.85 16.1 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.266 0.354 . . . . 73.129999999999995 111.925 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.9 -20.35 20.54 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 121.543 -0.36 . . . . 74.209999999999994 113.82 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -90.58 122.56 33.49 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.948 0.404 . . . . 61.299999999999997 111.404 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 m -114.15 121.63 44.35 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.214 -0.903 . . . . 71.239999999999995 110.568 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.5 122.82 33.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.838 -0.619 . . . . 63.039999999999999 110.793 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -86.12 -7.33 58.66 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.568 -0.742 . . . . 53.539999999999999 112.361 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -75.47 -21.81 57.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.486 0.314 . . . . 63.240000000000002 111.188 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.85 0.25 1.97 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.263 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.3 45.88 16.4 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.829 0.852 . . . . 71.409999999999997 111.566 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 p -140.07 160.3 40.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.411 -0.813 . . . . 74.430000000000007 111.337 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 130.95 34.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 111.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -130.89 162.8 28.85 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.486 -0.779 . . . . 71.310000000000002 111.145 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.31 124.94 34.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.999 -0.546 . . . . 62.43 110.589 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -92.54 -45.52 8.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.119 -0.492 . . . . 74.420000000000002 111.541 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 m -101.73 136.91 40.78 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 m -102.13 144.27 30.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.928 -0.578 . . . . 65.25 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.131 -0.937 . . . . 62.420000000000002 111.107 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.479 -0.248 . . . . 64.329999999999998 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -96.24 152.81 18.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.336 0.255 . . . . 74.140000000000001 111.158 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -101.91 126.13 48.75 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.896 -0.593 . . . . 62.130000000000003 109.692 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.56 4.65 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 116.054 -0.521 . . . . 73.010000000000005 113.287 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.09 154.95 17.8 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.797 0.439 . . . . 50.520000000000003 111.008 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.72 8.18 21.05 Favored Glycine 0 C--N 1.337 0.593 0 CA-C-N 115.622 -0.717 . . . . 24.329999999999998 112.755 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.8 153.4 19.16 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.603 0.361 . . . . 75.510000000000005 110.978 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 119.88 24.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.133 -0.485 . . . . 75.120000000000005 110.985 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -107.13 116.06 31.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.742 -0.663 . . . . 73.209999999999994 110.599 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.76 -49.46 0.57 Allowed Glycine 0 C--N 1.338 0.657 0 CA-C-N 115.927 -0.579 . . . . 65.430000000000007 112.951 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.38 -40.88 11.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.366 0.266 . . . . 74.140000000000001 111.646 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.08 147.7 22.63 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.384 0.427 . . . . 73.200000000000003 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -95.16 85.33 4.28 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.311 0.577 . . . . 51.43 111.105 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -144.83 139.51 27.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.316 -0.856 . . . . 74.349999999999994 110.025 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -94.46 157.02 16.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.75 -0.659 . . . . 71.420000000000002 111.208 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -83.9 138.59 33.09 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.702 -0.681 . . . . 62.450000000000003 111.714 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.2 -31.9 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.793 -0.639 . . . . 64.540000000000006 112.007 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 p -96.89 -28.07 14.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.038 -0.528 . . . . 73.129999999999995 111.083 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 100.84 45.5 1.91 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.051 -0.522 . . . . 74.209999999999994 113.334 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.0 t80 -143.46 113.69 7.34 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.065 0.46 . . . . 61.299999999999997 111.428 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.4 111.12 20.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.262 -0.881 . . . . 71.239999999999995 109.801 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 26' ' ' THR . 0.3 OUTLIER -77.79 119.64 21.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.194 -0.457 . . . . 63.039999999999999 110.949 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -84.42 -35.62 22.96 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.06 0.763 . . . . 53.539999999999999 113.06 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -37.8 82.97 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.58 0.229 . . . . 63.240000000000002 111.197 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 23' ' ' ASP . 71.2 p -98.32 -10.99 23.02 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.774 -0.648 . . . . 40.32 111.146 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 57.1 43.34 24.37 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 71.409999999999997 111.796 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -145.18 160.86 40.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.567 -0.742 . . . . 74.430000000000007 111.452 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 131.86 34.32 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.931 -0.577 . . . . 73.510000000000005 111.05 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.46 175.0 9.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.216 -0.447 . . . . 71.310000000000002 110.946 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -88.8 151.4 22.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.795 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -92.73 -42.54 9.53 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.073 -0.512 . . . . 74.420000000000002 111.028 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -99.58 143.38 29.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.94 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -99.58 -42.96 6.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.929 -0.578 . . . . 65.25 111.138 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.132 -0.937 . . . . 62.420000000000002 111.104 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.459 -0.256 . . . . 64.329999999999998 112.459 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.29 149.3 21.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.617 0.245 . . . . 74.140000000000001 110.979 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 34.7 t -129.07 140.68 51.49 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.889 -0.596 . . . . 62.130000000000003 110.668 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.02 170.97 22.12 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 115.652 -0.704 . . . . 73.010000000000005 112.503 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.79 158.56 16.27 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.133 -0.461 . . . . 50.520000000000003 110.763 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.0 12.51 15.73 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.421 -0.809 . . . . 24.329999999999998 112.434 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.57 153.07 20.61 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.771 0.428 . . . . 75.510000000000005 110.991 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.486 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -80.08 134.01 36.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.088 -0.505 . . . . 75.120000000000005 110.932 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.7 t -104.39 145.11 30.73 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.869 -0.605 . . . . 73.209999999999994 111.039 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.37 -152.06 6.35 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.799 -0.637 . . . . 65.430000000000007 112.534 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.55 -41.25 6.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.275 0.23 . . . . 74.140000000000001 111.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.36 6.21 47.76 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 123.342 0.401 . . . . 73.200000000000003 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 9' ' ' THR . 75.9 mtt180 -92.99 171.56 8.87 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.134 -0.485 . . . . 51.43 111.115 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.84 170.48 15.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.259 -0.428 . . . . 74.349999999999994 111.868 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.618 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 88.3 m-85 -90.99 153.02 20.46 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 111.145 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.2 m -104.68 139.4 39.56 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 62.450000000000003 111.228 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.2 m -52.8 -31.36 38.27 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.463 0.912 . . . . 64.540000000000006 113.463 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -85.46 -29.04 24.63 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.867 0.321 . . . . 73.129999999999995 111.867 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.31 24.72 67.67 Favored Glycine 0 C--N 1.342 0.868 0 O-C-N 123.382 0.427 . . . . 74.209999999999994 113.971 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -127.99 120.04 26.73 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.99 0.424 . . . . 61.299999999999997 110.969 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.5 m -114.19 119.69 37.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.176 -0.92 . . . . 71.239999999999995 110.373 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.16 123.51 32.27 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.905 -0.589 . . . . 63.039999999999999 110.767 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.31 -7.47 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.509 -0.769 . . . . 53.539999999999999 112.449 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -73.47 -24.26 60.18 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.456 0.302 . . . . 63.240000000000002 111.108 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -139.96 1.33 1.85 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.685 -0.688 . . . . 40.32 111.169 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 tttt 57.91 44.03 20.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.898 0.879 . . . . 71.409999999999997 111.248 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -135.95 160.1 39.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.529 -0.759 . . . . 74.430000000000007 111.691 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 m -82.06 130.92 35.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.45 -0.795 . . . . 73.510000000000005 111.701 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -132.76 163.29 29.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.463 -0.79 . . . . 71.310000000000002 110.933 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.58 125.44 34.8 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.166 -0.47 . . . . 62.43 110.862 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -96.87 144.07 27.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.885 -0.598 . . . . 74.420000000000002 110.728 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -127.85 144.45 51.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.912 -0.585 . . . . 72.25 110.701 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 p -124.89 134.92 52.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.959 -0.564 . . . . 65.25 110.983 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.521 -0.752 . . . . 62.420000000000002 111.106 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.484 -0.247 . . . . 64.329999999999998 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -96.4 154.4 17.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.301 0.24 . . . . 74.140000000000001 110.953 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -115.98 142.86 46.22 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.023 -0.535 . . . . 62.130000000000003 110.308 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.43 132.8 11.39 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.99 -0.55 . . . . 73.010000000000005 112.861 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -87.58 159.43 18.58 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.674 0.389 . . . . 50.520000000000003 111.263 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.56 12.69 12.66 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 115.599 -0.728 . . . . 24.329999999999998 112.729 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.82 152.79 21.1 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.632 0.373 . . . . 75.510000000000005 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 140.67 29.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.029 -0.532 . . . . 75.120000000000005 111.146 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 75.3 m -108.05 148.45 29.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 73.209999999999994 110.877 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.72 -61.06 0.28 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.875 -0.602 . . . . 65.430000000000007 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -98.15 153.31 18.54 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.686 0.286 . . . . 74.140000000000001 110.871 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.47 99.18 11.71 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.079 -0.51 . . . . 73.200000000000003 111.174 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -142.8 -47.71 0.32 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.424 -0.807 . . . . 51.43 110.532 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -135.66 137.33 41.72 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 116.015 -0.539 . . . . 74.349999999999994 110.241 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -94.89 153.89 17.48 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.676 -0.693 . . . . 71.420000000000002 110.768 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.5 m -90.16 139.12 30.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.968 -0.56 . . . . 62.450000000000003 111.416 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.8 m -56.19 -26.35 50.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.195 0.813 . . . . 64.540000000000006 113.195 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -91.11 -29.01 17.54 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.068 0.23 . . . . 73.129999999999995 111.606 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.78 51.36 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.156 0.423 . . . . 74.209999999999994 114.156 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 20.7 t80 -136.9 121.05 17.85 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.892 0.377 . . . . 61.299999999999997 111.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 m -114.04 117.44 31.3 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 71.239999999999995 110.625 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.07 124.81 34.65 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.818 -0.628 . . . . 63.039999999999999 110.65 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.29 -7.24 59.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.589 -0.732 . . . . 53.539999999999999 112.473 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -73.36 -25.34 60.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.456 0.302 . . . . 63.240000000000002 111.122 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -139.46 1.49 1.96 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.801 -0.636 . . . . 40.32 111.206 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.22 46.17 16.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.875 0.87 . . . . 71.409999999999997 111.433 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.34 158.1 44.32 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.45 -0.795 . . . . 74.430000000000007 111.527 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 17.6 m -80.62 132.49 35.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.595 -0.729 . . . . 73.510000000000005 111.686 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.5 mttt -131.33 166.85 20.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.443 -0.799 . . . . 71.310000000000002 111.059 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.37 140.35 29.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 62.43 110.629 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -90.95 149.75 21.75 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.439 0.462 . . . . 74.420000000000002 111.241 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 t -99.33 -42.6 6.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.861 -0.609 . . . . 72.25 111.151 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -116.23 144.84 43.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.053 -0.975 . . . . 62.420000000000002 111.074 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.537 -0.225 . . . . 64.329999999999998 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -96.3 151.1 19.84 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.66 0.271 . . . . 74.140000000000001 111.072 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 134.4 51.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.787 -0.642 . . . . 62.130000000000003 110.104 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 137.83 14.11 Favored Glycine 0 C--N 1.337 0.594 0 O-C-N 123.605 0.566 . . . . 73.010000000000005 112.892 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.99 154.61 18.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.569 0.348 . . . . 50.520000000000003 111.232 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 7.21 44.51 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.623 -0.717 . . . . 24.329999999999998 112.544 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -98.66 153.19 18.88 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.757 0.423 . . . . 75.510000000000005 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.01 121.34 22.6 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.115 -0.493 . . . . 75.120000000000005 110.957 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.6 t -98.08 127.4 44.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.762 -0.654 . . . . 73.209999999999994 111.035 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.5 -122.54 4.85 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.719 -0.673 . . . . 65.430000000000007 112.317 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.04 -53.02 1.21 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.539 0.199 . . . . 74.140000000000001 110.99 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -142.4 77.2 1.57 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.27 0.557 . . . . 73.200000000000003 110.866 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.68 -58.69 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.578 -0.737 . . . . 51.43 110.525 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -149.68 136.28 19.27 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.832 0.453 . . . . 74.349999999999994 110.241 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -98.48 143.45 28.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.651 -0.704 . . . . 71.420000000000002 110.307 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.2 138.91 31.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 62.450000000000003 111.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -19.27 61.49 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.1 0.778 . . . . 64.540000000000006 113.1 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -87.96 -28.74 21.28 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.279 0.362 . . . . 73.129999999999995 111.708 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.25 60.26 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 123.377 0.423 . . . . 74.209999999999994 113.954 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.588 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.4 t80 -95.71 116.92 29.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.963 0.411 . . . . 61.299999999999997 111.327 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.6 m -114.99 111.57 21.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.264 -0.88 . . . . 71.239999999999995 110.275 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -81.93 120.36 25.12 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.112 -0.494 . . . . 63.039999999999999 110.977 179.493 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -85.92 -7.91 58.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.527 -0.76 . . . . 53.539999999999999 112.269 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -77.68 -22.23 50.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.463 0.305 . . . . 63.240000000000002 111.106 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.76 1.38 2.09 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.866 -0.606 . . . . 40.32 111.286 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.6 mttt 58.43 42.13 21.72 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.791 0.837 . . . . 71.409999999999997 111.625 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.7 p -137.72 154.18 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.449 -0.796 . . . . 74.430000000000007 111.605 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.43 138.22 32.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.485 -0.78 . . . . 73.510000000000005 111.545 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 94.2 mttt -137.57 178.01 7.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.681 -0.69 . . . . 71.310000000000002 110.827 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.54 145.08 25.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.33 -0.396 . . . . 62.43 110.631 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -89.95 -40.21 12.51 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.057 -0.52 . . . . 74.420000000000002 111.289 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.9 m -97.7 129.88 44.72 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.412 0.445 . . . . 72.25 110.961 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 t -127.74 146.71 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.796 -0.638 . . . . 65.25 110.718 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.091 -0.957 . . . . 62.420000000000002 111.129 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.561 -0.215 . . . . 64.329999999999998 112.561 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -96.27 141.6 29.42 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.645 0.262 . . . . 74.140000000000001 110.991 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.17 151.68 37.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.974 -0.557 . . . . 62.130000000000003 110.672 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -86.05 159.76 32.99 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-N 115.952 -0.567 . . . . 73.010000000000005 113.155 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.11 160.27 18.62 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.089 -0.481 . . . . 50.520000000000003 111.031 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.0 12.52 15.71 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-N 115.42 -0.809 . . . . 24.329999999999998 112.413 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.23 153.41 18.07 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 122.812 0.445 . . . . 75.510000000000005 111.144 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -74.3 124.76 27.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.041 -0.527 . . . . 75.120000000000005 111.2 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.4 m -96.48 138.64 33.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.874 -0.603 . . . . 73.209999999999994 111.035 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.22 -152.49 9.36 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.661 0.6 . . . . 65.430000000000007 112.582 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.46 -40.67 6.59 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.64 0.259 . . . . 74.140000000000001 111.257 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.66 -1.7 54.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.246 -0.434 . . . . 73.200000000000003 111.557 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.46 174.49 7.35 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.198 -0.455 . . . . 51.43 111.193 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.3 tt -72.01 151.65 43.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.21 -0.45 . . . . 74.349999999999994 111.276 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.581 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -71.82 151.6 43.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.115 -0.493 . . . . 71.420000000000002 111.204 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.73 137.96 35.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.798 -0.637 . . . . 62.450000000000003 111.959 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -9.98 39.76 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.502 -0.772 . . . . 64.540000000000006 111.597 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -89.45 -28.65 19.56 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.307 0.379 . . . . 73.129999999999995 111.56 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -40.98 2.59 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 121.401 -0.428 . . . . 74.209999999999994 113.631 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -92.05 117.01 29.43 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.165 0.507 . . . . 61.299999999999997 111.827 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -114.2 119.43 37.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.994 -1.003 . . . . 71.239999999999995 110.15 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 121.14 27.0 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.886 -0.597 . . . . 63.039999999999999 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.66 -10.05 57.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.437 -0.801 . . . . 53.539999999999999 112.231 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.09 -19.83 59.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.473 0.309 . . . . 63.240000000000002 111.095 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -136.54 -0.83 2.35 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.666 -0.697 . . . . 40.32 111.169 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 9' ' ' THR . 58.0 mmtt 58.95 37.23 24.67 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.868 0.867 . . . . 71.409999999999997 111.728 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -136.26 161.77 34.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 74.430000000000007 111.432 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 136.83 34.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.156 -0.474 . . . . 73.510000000000005 112.056 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -136.13 162.09 33.9 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.405 -0.816 . . . . 71.310000000000002 111.073 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.51 127.8 35.54 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.149 -0.478 . . . . 62.43 110.93 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -94.24 -43.22 8.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.949 -0.568 . . . . 74.420000000000002 111.126 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 m -104.94 140.73 37.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.327 -0.397 . . . . 72.25 110.967 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.3 p -104.0 141.03 36.9 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.629 0.581 . . . . 65.25 110.951 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.511 -0.757 . . . . 62.420000000000002 111.072 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.618 0.247 . . . . 74.14 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.5 t -126.78 154.79 43.78 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.894 -0.593 . . . . 62.13 110.639 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.06 129.12 9.3 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.922 -0.581 . . . . 73.01 112.807 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 122.71 0.404 . . . . 50.52 111.233 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.563 0 CA-C-O 120.222 -0.21 . . . . 24.33 112.632 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.41 153.03 17.89 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.699 0.4 . . . . 75.51 111.001 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -80.6 122.63 27.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.587 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -110.82 133.17 53.58 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.851 -0.613 . . . . 73.21 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.81 -71.13 0.43 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.922 -0.581 . . . . 65.43 112.74 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.13 -15.19 21.06 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.822 0.304 . . . . 74.14 111.822 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 14' ' ' ARG . 4.0 tp -93.45 164.93 13.0 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.255 0.347 . . . . 73.2 111.066 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 98.8 mtt180 -78.56 -176.33 4.77 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.016 -0.538 . . . . 51.43 111.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt 69.53 145.06 0.05 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.197 0.999 . . . . 74.35 112.069 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -108.74 169.07 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.438 -0.801 . . . . 71.42 110.994 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -82.55 138.37 34.29 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.99 -0.55 . . . . 62.45 111.628 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.9 -34.72 79.08 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.865 -0.607 . . . . 64.54 112.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -92.86 -28.07 16.74 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.104 -0.498 . . . . 73.13 111.227 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 96.15 38.03 4.7 Favored Glycine 0 C--N 1.34 0.773 0 O-C-N 123.559 0.537 . . . . 74.21 113.278 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -140.37 114.99 9.46 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.038 0.447 . . . . 61.3 111.29 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 m -115.01 120.35 39.56 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.168 -0.924 . . . . 71.24 109.885 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.32 122.08 26.46 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.194 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 t -88.05 -8.24 55.84 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.518 -0.764 . . . . 53.54 112.083 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.21 -20.04 57.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.449 0.3 . . . . 63.24 111.244 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.5 -1.8 1.84 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.813 -0.63 . . . . 40.32 111.223 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.36 51.88 7.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.787 0.835 . . . . 71.41 111.534 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -140.3 162.15 35.97 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.481 -0.782 . . . . 74.43 111.504 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 126.18 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.872 -0.604 . . . . 73.51 110.868 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 88.1 mttt -133.01 158.24 43.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.031 -0.531 . . . . 71.31 111.293 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.01 143.04 27.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.982 -0.554 . . . . 62.43 110.766 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mttm . . . . . 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.117 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 120.59 0.234 . . . . 74.14 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -107.57 147.35 30.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.016 -0.538 . . . . 62.13 110.257 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 119.45 5.79 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 116.144 -0.48 . . . . 73.01 113.074 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 122.721 0.408 . . . . 50.52 111.096 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 CA-C-O 120.241 -0.199 . . . . 24.33 112.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.89 153.13 19.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.495 0.318 . . . . 75.51 111.067 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.551 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.27 122.65 29.75 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.026 -0.534 . . . . 75.12 110.812 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -107.43 129.03 54.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.892 -0.595 . . . . 73.21 110.865 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.53 -53.24 0.65 Allowed Glycine 0 C--N 1.337 0.618 0 O-C-N 123.596 0.56 . . . . 65.43 112.883 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.14 -20.0 18.28 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.02 0.378 . . . . 74.14 112.02 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 9' ' ' THR . 5.9 mp -92.01 155.77 17.88 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.193 0.308 . . . . 73.2 111.402 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -88.44 -3.73 58.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.779 -0.646 . . . . 51.43 111.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -89.91 129.49 36.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.365 -0.379 . . . . 74.35 110.618 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.58 170.6 9.22 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.639 -0.709 . . . . 71.42 111.195 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.4 m -79.27 139.11 37.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.08 -0.509 . . . . 62.45 111.714 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -57.56 -29.67 64.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.906 -0.588 . . . . 64.54 112.485 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 p -91.86 -27.97 17.61 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.447 0.467 . . . . 73.13 111.411 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.83 36.63 4.96 Favored Glycine 0 C--N 1.34 0.784 0 O-C-N 123.52 0.512 . . . . 74.21 113.198 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 30.3 t80 -141.63 122.14 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.899 0.38 . . . . 61.3 111.082 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.2 m -114.22 123.44 49.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.274 -0.875 . . . . 71.24 110.127 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.552 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -88.19 120.56 29.66 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.136 -0.484 . . . . 63.04 110.647 179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.9 p -85.24 -7.45 59.02 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.539 -0.755 . . . . 53.54 112.484 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -73.97 -25.28 59.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.425 0.29 . . . . 63.24 111.232 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.59 0.58 1.85 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.276 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.17 53.41 6.62 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.758 0.823 . . . . 71.41 111.296 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -137.26 162.33 33.8 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.408 -0.815 . . . . 74.43 111.944 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.95 125.9 32.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.337 -0.847 . . . . 73.51 111.254 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.8 mttt -135.93 159.97 40.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.864 -0.607 . . . . 71.31 110.918 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.59 143.19 27.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.046 -0.524 . . . . 62.43 110.771 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.8 tttp . . . . . 0 N--CA 1.466 0.34 0 O-C-N 123.54 0.525 . . . . 74.42 110.824 -179.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.4 m-90 . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.561 0.22 . . . . 74.14 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -110.02 157.28 19.47 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.929 -0.578 . . . . 62.13 110.705 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.84 138.02 14.89 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 116.064 -0.516 . . . . 73.01 112.868 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 122.627 0.371 . . . . 50.52 111.109 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-O 120.286 -0.175 . . . . 24.33 112.686 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.86 153.35 19.22 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.643 0.377 . . . . 75.51 111.112 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.14 132.61 36.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.009 -0.541 . . . . 75.12 110.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.74 125.77 42.73 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.81 -124.21 0.7 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.899 -0.592 . . . . 65.43 112.735 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.79 -39.71 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.636 0.257 . . . . 74.14 111.317 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.08 -12.59 37.98 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.354 0.409 . . . . 73.2 111.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -93.37 171.39 8.95 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.415 0.447 . . . . 51.43 111.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.7 155.28 37.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.733 0.413 . . . . 74.35 111.898 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.08 166.38 13.9 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.757 -0.656 . . . . 71.42 111.258 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.5 m -82.04 138.24 34.89 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.072 -0.513 . . . . 62.45 111.317 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -73.15 -16.57 61.44 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.026 -0.534 . . . . 64.54 112.055 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -98.6 -28.25 13.64 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.452 0.47 . . . . 73.13 111.115 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 36.76 5.42 Favored Glycine 0 C--N 1.341 0.841 0 O-C-N 123.552 0.533 . . . . 74.21 113.37 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 28.0 t80 -141.24 119.94 12.54 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.928 0.394 . . . . 61.3 111.192 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.1 m -114.14 120.88 42.01 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.152 -0.931 . . . . 71.24 110.078 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -87.52 121.86 30.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.138 -0.483 . . . . 63.04 110.664 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.8 m -84.06 -7.26 59.44 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.906 0.754 . . . . 53.54 112.453 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -73.37 -24.7 60.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.434 0.294 . . . . 63.24 111.073 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -140.05 0.02 1.71 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.741 -0.663 . . . . 40.32 111.232 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.96 51.9 8.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.842 0.857 . . . . 71.41 111.296 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -139.42 163.17 33.22 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.972 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.45 128.65 34.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.332 -0.849 . . . . 73.51 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.6 mttt -135.93 159.8 40.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.925 -0.58 . . . . 71.31 111.142 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.23 147.64 24.04 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 62.43 110.855 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 30.2 mmtt . . . . . 0 N--CA 1.468 0.452 0 O-C-N 123.452 0.47 . . . . 74.42 111.422 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.556 0.217 . . . . 74.14 111.078 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -130.85 149.62 52.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.898 -0.592 . . . . 62.13 110.165 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.39 148.79 31.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.071 -0.513 . . . . 73.01 113.453 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 122.774 0.43 . . . . 50.52 111.143 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 112.503 -0.239 . . . . 24.33 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.53 153.37 18.21 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.728 0.411 . . . . 75.51 111.022 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.92 121.9 24.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.052 -0.522 . . . . 75.12 111.001 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 35.8 t -100.83 146.52 27.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.906 -0.588 . . . . 73.21 111.064 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.94 -120.68 0.96 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.672 -0.695 . . . . 65.43 112.178 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.54 84.8 2.82 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.281 0.562 . . . . 74.14 110.502 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.13 164.07 30.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.322 -0.854 . . . . 73.2 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.85 -28.16 28.2 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.17 -0.468 . . . . 51.43 111.507 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 tp -96.01 123.5 39.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.475 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -95.65 154.23 17.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.602 -0.726 . . . . 71.42 110.802 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -81.82 139.12 34.94 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.997 -0.547 . . . . 62.45 112.129 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -5.21 24.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.414 -0.812 . . . . 64.54 112.891 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.0 m -85.51 -28.77 24.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.01 0.374 . . . . 73.13 112.01 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.42 -42.59 3.14 Favored Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.453 -0.403 . . . . 74.21 113.628 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.53 126.12 35.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.95 0.405 . . . . 61.3 111.528 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 m -114.32 126.9 55.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 71.24 110.671 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -93.16 118.62 31.43 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.907 -0.588 . . . . 63.04 110.614 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -86.22 -8.1 58.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.514 -0.766 . . . . 53.54 112.181 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -76.81 -19.98 56.92 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.481 0.312 . . . . 63.24 111.162 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p -138.74 0.89 2.05 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.823 -0.626 . . . . 40.32 111.298 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.54 40.82 23.37 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.81 0.844 . . . . 71.41 111.764 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.1 p -132.26 158.01 42.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.573 -0.739 . . . . 74.43 111.483 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 10' ' ' CYS . 80.5 m -86.48 126.81 34.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.56 -0.745 . . . . 73.51 111.308 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.0 mttt -130.95 167.89 18.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.641 -0.708 . . . . 71.31 110.984 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.42 147.1 24.87 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.134 -0.485 . . . . 62.43 110.742 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tttt . . . . . 0 CA--C 1.535 0.378 0 O-C-N 123.544 0.527 . . . . 74.42 111.416 -179.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.47 0.176 . . . . 74.14 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 95.2 m -118.38 148.26 42.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.028 -0.533 . . . . 62.13 111.088 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 156.49 23.09 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.632 -0.713 . . . . 73.01 112.508 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 119.13 -0.462 . . . . 50.52 110.984 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 112.454 -0.259 . . . . 24.33 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -93.13 152.87 18.99 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 122.788 0.435 . . . . 75.51 110.792 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 126.45 30.79 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.37 0.419 . . . . 75.12 111.544 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.8 t -117.49 126.55 52.8 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.641 -0.709 . . . . 73.21 110.588 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.72 -49.46 0.14 Allowed Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.96 -0.564 . . . . 65.43 112.521 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.96 157.69 16.2 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.504 0.322 . . . . 74.14 110.949 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -88.13 93.52 9.52 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.21 0.528 . . . . 73.2 111.282 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -143.34 -46.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.29 -0.868 . . . . 51.43 110.527 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 16' ' ' TYR . 2.3 tt -133.7 142.76 48.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.244 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 91.5 m-85 -105.48 132.67 51.35 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.621 0.575 . . . . 71.42 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.56 138.0 31.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 62.45 111.219 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.77 -2.74 31.23 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.919 -0.582 . . . . 64.54 112.561 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' HA ' ' A' ' 31' ' ' ASP . 13.6 t -90.23 -29.13 18.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.642 -0.253 . . . . 73.13 111.352 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 -32.58 3.05 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 114.073 0.389 . . . . 74.21 114.073 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.22 120.4 32.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.049 0.452 . . . . 61.3 111.838 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -114.93 123.93 50.39 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.124 -0.943 . . . . 71.24 110.044 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.81 121.99 28.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.13 -0.486 . . . . 63.04 111.101 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.2 m -88.08 -9.93 51.74 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.537 -0.756 . . . . 53.54 112.116 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.21 -19.89 57.98 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.537 0.335 . . . . 63.24 111.187 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -138.1 -1.69 1.93 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 40.32 111.321 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.04 49.28 11.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.85 0.86 . . . . 71.41 111.559 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.1 p -139.45 157.8 45.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.393 -0.821 . . . . 74.43 111.736 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.18 125.02 30.42 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.224 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.8 mttt -131.86 161.85 32.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.719 -0.673 . . . . 71.31 111.258 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.495 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 8.1 m-20 -88.52 142.75 27.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.984 -0.553 . . . . 62.43 110.768 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttt . . . . . 0 C--O 1.235 0.294 0 CA-C-N 116.093 -0.503 . . . . 74.42 110.857 -179.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.2 m95 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.514 0.197 . . . . 74.14 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -101.56 136.91 40.6 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.862 -0.608 . . . . 62.13 110.595 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.69 143.61 16.83 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.936 -0.575 . . . . 73.01 112.931 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 122.793 0.437 . . . . 50.52 111.193 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 112.597 -0.201 . . . . 24.33 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 153.3 17.77 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.697 0.399 . . . . 75.51 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -81.26 137.7 35.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.819 -0.628 . . . . 75.12 110.99 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 86.4 m -95.69 152.87 18.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.928 -0.578 . . . . 73.21 111.354 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.86 -160.11 33.45 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.807 -0.633 . . . . 65.43 112.722 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -97.56 -44.31 6.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.374 0.27 . . . . 74.14 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.55 -3.49 54.98 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.367 0.417 . . . . 73.2 111.326 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -92.45 172.49 8.35 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.849 -0.614 . . . . 51.43 110.956 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -75.92 152.9 36.99 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.399 -0.364 . . . . 74.35 111.56 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' H ' HD23 ' A' ' 15' ' ' LEU . 88.5 m-85 -83.26 159.88 21.86 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.893 -0.594 . . . . 71.42 111.459 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 58.1 m -93.28 138.57 31.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.818 -0.628 . . . . 62.45 111.334 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.52 -14.8 61.28 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.589 0.556 . . . . 64.54 112.119 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.6 m -94.81 -28.4 15.27 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 73.13 111.595 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.71 -22.28 40.04 Favored Glycine 0 C--N 1.34 0.798 0 O-C-N 123.448 0.467 . . . . 74.21 113.603 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 31.3 t80 -95.38 123.01 38.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.986 0.422 . . . . 61.3 111.558 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.6 m -114.44 124.78 52.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.135 -0.939 . . . . 71.24 110.321 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.582 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.79 125.23 35.23 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.429 179.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -82.87 -7.21 59.68 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.044 0.84 . . . . 53.54 112.405 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -71.05 -27.57 63.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.438 0.295 . . . . 63.24 111.196 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -140.54 1.23 1.73 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.682 -0.69 . . . . 40.32 111.248 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.74 52.98 7.52 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.808 0.843 . . . . 71.41 111.139 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -139.04 166.57 24.15 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.444 -0.798 . . . . 74.43 112.176 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.73 130.9 35.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.32 -0.854 . . . . 73.51 111.358 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 78.2 mttt -139.66 157.65 45.42 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.495 0.497 . . . . 71.31 111.239 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.87 147.39 23.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.791 -0.64 . . . . 62.43 110.78 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 mttt . . . . . 0 N--CA 1.468 0.426 0 O-C-N 123.42 0.45 . . . . 74.42 111.383 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 120.519 0.199 . . . . 74.14 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.96 151.71 33.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.959 -0.564 . . . . 62.13 110.412 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.81 137.48 14.84 Favored Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.812 -0.631 . . . . 73.01 112.819 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 119.261 -0.4 . . . . 50.52 111.243 -179.637 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.477 0 CA-C-O 120.233 -0.204 . . . . 24.33 112.68 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -91.46 153.03 20.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.638 0.375 . . . . 75.51 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 134.69 34.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.973 -0.558 . . . . 75.12 110.997 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.7 m -102.53 127.59 49.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.593 . . . . 73.21 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.12 -33.79 5.8 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.904 -0.589 . . . . 65.43 113.259 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.23 -39.02 12.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.826 0.306 . . . . 74.14 111.826 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.59 154.32 17.43 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.316 0.385 . . . . 73.2 111.264 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.96 -8.85 53.35 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.842 -0.617 . . . . 51.43 111.814 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -90.48 136.6 32.96 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.724 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -92.2 153.72 19.12 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.604 -0.725 . . . . 71.42 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 55.4 m -89.59 139.45 30.53 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.987 -0.552 . . . . 62.45 111.754 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -56.22 -19.83 15.54 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.571 0.952 . . . . 64.54 113.571 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -83.22 -29.06 28.8 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.931 0.345 . . . . 73.13 111.931 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.09 -27.57 4.44 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -89.33 121.46 31.62 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.976 0.417 . . . . 61.3 111.666 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.48 123.37 49.23 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.137 -0.938 . . . . 71.24 110.25 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.562 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.13 124.77 34.64 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.005 -0.543 . . . . 63.04 110.908 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.38 -9.56 58.32 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.486 -0.779 . . . . 53.54 112.318 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -73.26 -21.96 60.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.47 0.308 . . . . 63.24 111.059 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -139.39 -0.32 1.8 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.674 -0.694 . . . . 40.32 111.137 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 57.8 42.07 23.96 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.849 0.86 . . . . 71.41 111.562 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.7 p -136.12 162.81 31.88 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.559 -0.746 . . . . 74.43 111.69 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 42.0 m -80.81 131.76 35.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.501 -0.772 . . . . 73.51 111.76 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 84.6 mttt -133.85 161.34 35.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.713 -0.676 . . . . 71.31 110.833 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.73 130.3 35.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.023 -0.535 . . . . 62.43 110.802 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 tttt . . . . . 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 74.42 110.714 -179.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.451 0.167 . . . . 74.14 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 71.0 m -107.85 147.45 30.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.984 -0.553 . . . . 62.13 110.925 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.28 -174.15 31.38 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.676 -0.693 . . . . 73.01 112.755 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 CA--C 1.537 0.467 0 CA-C-O 119.328 -0.368 . . . . 50.52 110.65 179.692 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 112.25 -0.34 . . . . 24.33 112.25 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -86.04 153.19 22.3 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.969 0.508 . . . . 75.51 111.339 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.077 -0.51 . . . . 75.12 111.301 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.7 t -111.32 144.69 40.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.79 -0.641 . . . . 73.21 110.794 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.51 -140.74 4.68 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.646 0.591 . . . . 65.43 112.567 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.15 -40.76 9.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.417 0.287 . . . . 74.14 111.565 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.6 -9.88 53.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.712 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.56 166.16 12.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 51.43 110.975 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.91 168.67 19.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.24 -0.436 . . . . 74.35 111.557 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 10.6 t80 -90.12 145.67 24.87 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.312 -0.404 . . . . 71.42 110.797 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.9 m -98.82 139.06 35.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.849 -0.614 . . . . 62.45 111.256 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 m -72.1 -2.44 18.53 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.758 0.651 . . . . 64.54 112.758 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -84.56 -28.71 26.42 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.304 0.242 . . . . 73.13 111.544 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.65 15.71 72.63 Favored Glycine 0 C--N 1.343 0.929 0 O-C-N 123.485 0.491 . . . . 74.21 114.236 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 33.7 t80 -135.22 113.69 11.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 117.175 0.487 . . . . 61.3 111.507 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 108.97 17.1 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.088 -0.96 . . . . 71.24 109.928 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.21 120.53 21.62 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.187 -0.46 . . . . 63.04 111.084 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.5 m -85.67 -7.39 58.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.561 -0.745 . . . . 53.54 112.374 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -77.44 -23.64 50.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.476 0.311 . . . . 63.24 111.19 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -139.03 1.27 2.02 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.867 -0.606 . . . . 40.32 111.358 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.5 mttt 58.28 47.58 13.88 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.781 0.832 . . . . 71.41 111.475 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.7 p -139.58 153.96 47.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.594 -0.73 . . . . 74.43 111.814 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.91 133.44 34.72 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.414 -0.812 . . . . 73.51 111.335 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.5 170.75 15.55 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.568 0.542 . . . . 71.31 111.182 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.82 154.03 20.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.082 -0.508 . . . . 62.43 110.71 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.209 -179.72 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.549 0.214 . . . . 74.14 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -100.11 146.72 26.47 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.901 -0.59 . . . . 62.13 110.631 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 125.16 8.38 Favored Glycine 0 C--N 1.338 0.649 0 O-C-N 123.574 0.546 . . . . 73.01 112.838 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 122.648 0.379 . . . . 50.52 110.938 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 120.133 -0.259 . . . . 24.33 112.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.97 151.96 19.18 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.423 0.289 . . . . 75.51 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.06 123.71 32.43 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.898 -0.592 . . . . 75.12 110.891 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.7 p -121.84 122.59 39.8 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.575 0.547 . . . . 73.21 111.063 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.45 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.556 -0.747 . . . . 65.43 112.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -94.99 165.6 12.36 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.531 0.332 . . . . 74.14 110.566 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.4 89.77 6.14 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.407 0.622 . . . . 73.2 111.341 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.17 -46.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.201 -0.909 . . . . 51.43 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -132.22 149.21 52.43 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.56 0.537 . . . . 74.35 110.612 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' H ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -108.54 160.06 16.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.004 -0.544 . . . . 71.42 111.139 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -80.49 138.38 36.56 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.693 -0.685 . . . . 62.45 111.389 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.82 -36.32 82.11 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.032 -0.531 . . . . 64.54 112.178 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -96.42 -27.99 14.65 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.457 0.473 . . . . 73.13 111.05 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.47 32.58 5.97 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 116.096 -0.502 . . . . 74.21 113.05 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -141.71 119.99 12.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.779 0.323 . . . . 61.3 110.97 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.04 124.98 52.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.526 -0.761 . . . . 71.24 110.161 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -82.12 123.77 29.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.12 -0.491 . . . . 63.04 110.988 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 t -85.66 -7.49 58.78 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.946 0.779 . . . . 53.54 112.124 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.88 -22.51 56.07 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.496 0.318 . . . . 63.24 111.128 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.45 -1.47 1.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.784 -0.644 . . . . 40.32 111.224 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.3 51.73 8.08 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.867 0.867 . . . . 71.41 111.332 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 p -134.74 161.28 35.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.494 -0.775 . . . . 74.43 111.919 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 122.2 28.48 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.659 -0.7 . . . . 73.51 110.87 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 85.5 mttt -130.16 165.9 21.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.95 -0.568 . . . . 71.31 111.233 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.56 144.49 26.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.079 -0.509 . . . . 62.43 110.845 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 tttt . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.017 -0.538 . . . . 74.42 111.108 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.543 0.211 . . . . 74.14 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.41 130.35 49.16 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.962 -0.563 . . . . 62.13 109.784 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 119.86 5.1 Favored Glycine 0 C--N 1.338 0.66 0 O-C-N 123.548 0.53 . . . . 73.01 113.343 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 122.851 0.46 . . . . 50.52 111.072 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 CA-C-O 120.229 -0.206 . . . . 24.33 112.767 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.25 18.86 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 122.617 0.367 . . . . 75.51 111.037 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 117.03 22.83 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.041 -0.527 . . . . 75.12 110.919 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.68 121.63 43.98 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.821 -0.627 . . . . 73.21 110.777 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.4 -100.04 2.64 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.797 -0.638 . . . . 65.43 112.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -125.15 -54.0 1.61 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.654 0.267 . . . . 74.14 110.553 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.33 90.79 2.13 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.071 0.462 . . . . 73.2 110.877 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.64 -59.44 0.37 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.638 -0.71 . . . . 51.43 110.352 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -147.88 143.47 27.43 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.442 0.464 . . . . 74.35 110.008 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.67 158.2 15.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.824 -0.625 . . . . 71.42 111.215 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.616 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -85.8 138.47 32.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.827 -0.624 . . . . 62.45 111.658 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.98 69.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.875 -0.602 . . . . 64.54 111.935 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 p -99.15 -28.22 13.46 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.535 . . . . 73.13 111.0 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.616 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.91 45.9 2.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 116.069 -0.514 . . . . 74.21 113.321 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 26.1 t80 -145.91 113.91 6.53 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.064 0.459 . . . . 61.3 111.439 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.45 113.85 24.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.331 -0.85 . . . . 71.24 109.931 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.92 118.81 21.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.238 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 t -89.37 -9.34 50.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.508 -0.769 . . . . 53.54 111.906 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.68 -26.61 45.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.509 0.324 . . . . 63.24 111.042 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -128.98 -1.82 5.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.806 -0.634 . . . . 40.32 111.151 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.42 48.12 12.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.874 0.87 . . . . 71.41 111.571 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.11 157.34 45.43 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.56 -0.746 . . . . 74.43 111.589 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 130.36 34.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.836 -0.62 . . . . 73.51 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 89.9 mttt -137.57 169.63 17.46 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.368 0.418 . . . . 71.31 111.142 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 159.25 17.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.081 -0.508 . . . . 62.43 110.737 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.47 0.563 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.419 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.404 ' O ' HD21 ' A' ' 15' ' ' LEU . 85.8 m95 . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.521 0.201 . . . . 74.14 110.968 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -119.37 155.54 31.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.986 -0.552 . . . . 62.13 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.499 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -90.49 145.42 17.99 Favored Glycine 0 C--N 1.34 0.758 0 CA-C-N 116.008 -0.542 . . . . 73.01 113.075 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 119.179 -0.438 . . . . 50.52 110.899 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 CA-C-O 120.253 -0.193 . . . . 24.33 112.715 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.0 153.64 19.03 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.608 0.363 . . . . 75.51 111.07 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.13 122.81 26.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.969 -0.559 . . . . 75.12 110.997 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -102.39 148.27 25.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.885 -0.598 . . . . 73.21 111.047 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.09 -142.73 4.8 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.855 -0.612 . . . . 65.43 112.61 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.75 -43.96 6.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.398 0.279 . . . . 74.14 111.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.98 -4.25 53.01 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.364 0.415 . . . . 73.2 111.467 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 9' ' ' THR . 35.6 mtm180 -91.76 174.82 7.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.998 -0.546 . . . . 51.43 110.962 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -71.84 155.42 40.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.746 0.418 . . . . 74.35 111.759 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' H ' HD23 ' A' ' 15' ' ' LEU . 89.5 m-85 -83.69 162.84 20.58 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.911 -0.586 . . . . 71.42 111.853 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.03 138.64 31.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.656 -0.702 . . . . 62.45 111.505 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.7 -30.33 64.13 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.898 -0.592 . . . . 64.54 111.984 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 m -92.73 -28.11 16.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.309 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.75 30.38 6.84 Favored Glycine 0 C--N 1.339 0.743 0 O-C-N 123.486 0.491 . . . . 74.21 113.363 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -139.71 115.3 10.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.001 0.429 . . . . 61.3 111.268 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.0 m -114.74 120.74 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.25 -0.886 . . . . 71.24 109.911 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.89 120.46 24.74 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.103 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -85.44 -9.79 57.03 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.368 -0.833 . . . . 53.54 112.331 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -74.42 -20.44 60.04 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.165 0.29 . . . . 63.24 111.144 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.47 -1.2 1.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.726 -0.67 . . . . 40.32 111.221 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.29 45.31 17.28 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.848 0.859 . . . . 71.41 111.543 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -131.03 161.32 32.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.499 -0.773 . . . . 74.43 111.598 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 126.16 33.39 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.753 -0.658 . . . . 73.51 111.031 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.1 mttt -133.66 160.63 36.95 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.954 -0.566 . . . . 71.31 111.127 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.44 143.46 26.97 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.028 -0.533 . . . . 62.43 110.835 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttt . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 116.009 -0.541 . . . . 74.42 111.079 -179.787 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.4 m95 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.443 0.164 . . . . 74.14 111.065 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.36 134.06 45.0 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.626 0.579 . . . . 62.13 110.571 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.81 136.9 13.29 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.588 0.555 . . . . 73.01 113.043 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 119.23 -0.414 . . . . 50.52 111.017 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 CA-C-O 120.178 -0.234 . . . . 24.33 112.725 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.04 153.26 19.36 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.564 0.346 . . . . 75.51 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -83.89 122.63 28.98 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 75.12 110.727 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.96 150.33 22.99 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.902 -0.59 . . . . 73.21 111.299 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.99 -135.41 2.18 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 115.818 -0.628 . . . . 65.43 112.455 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -103.02 -46.25 4.71 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.277 0.231 . . . . 74.14 111.149 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.54 3.74 50.54 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.384 0.427 . . . . 73.2 111.25 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 9' ' ' THR . 73.1 mtt180 -91.69 177.09 6.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.025 -0.534 . . . . 51.43 111.156 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -71.14 152.98 42.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 122.789 0.436 . . . . 74.35 111.727 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -81.79 160.52 23.54 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.851 -0.613 . . . . 71.42 111.386 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.25 138.63 31.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.776 -0.647 . . . . 62.45 111.768 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 m -69.53 -34.8 74.76 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.781 -0.645 . . . . 64.54 112.089 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -92.33 -28.11 17.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.239 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 99.15 31.32 6.26 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.418 0.449 . . . . 74.21 113.309 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.69 116.73 11.7 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.988 0.423 . . . . 61.3 111.061 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.5 m -114.48 121.89 44.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.302 -0.863 . . . . 71.24 110.09 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -82.36 120.77 25.84 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 116.2 -0.455 . . . . 63.04 111.032 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -84.68 -7.38 59.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.431 -0.804 . . . . 53.54 112.347 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -72.91 -24.83 60.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.455 0.302 . . . . 63.24 111.142 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.72 1.39 1.9 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.737 -0.665 . . . . 40.32 111.231 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.38 46.72 14.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.876 0.87 . . . . 71.41 111.431 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -128.52 161.67 29.03 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.4 -0.818 . . . . 74.43 111.629 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 125.43 33.51 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.731 -0.668 . . . . 73.51 111.018 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.6 mttt -133.66 159.9 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.87 -0.604 . . . . 71.31 111.06 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.5 143.51 26.93 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.039 -0.528 . . . . 62.43 110.871 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tttt . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.046 -0.525 . . . . 74.42 111.171 -179.777 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.528 0.204 . . . . 74.14 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.5 127.73 46.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.877 -0.601 . . . . 62.13 110.637 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.47 141.01 15.37 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.931 -0.577 . . . . 73.01 112.692 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 122.826 0.45 . . . . 50.52 111.356 -179.836 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.402 0 N-CA-C 112.463 -0.255 . . . . 24.33 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -88.68 152.96 21.48 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 122.758 0.423 . . . . 75.51 110.934 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 131.58 35.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.545 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -107.95 150.36 27.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.64 -0.709 . . . . 73.21 110.792 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.96 -57.15 0.45 Allowed Glycine 0 C--N 1.337 0.593 0 O-C-N 123.563 0.539 . . . . 65.43 112.59 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -96.28 153.34 17.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.385 0.274 . . . . 74.14 110.956 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.74 94.85 9.21 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.244 0.545 . . . . 73.2 110.681 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -143.0 -41.91 0.31 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.422 -0.808 . . . . 51.43 110.892 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.4 tt -125.99 144.49 50.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.087 -0.506 . . . . 74.35 110.52 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.7 t80 -95.18 133.25 39.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 71.42 110.271 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.37 138.52 37.7 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.105 -0.498 . . . . 62.45 111.965 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.38 -28.87 65.44 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.603 -0.726 . . . . 64.54 112.453 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t -91.71 -28.65 17.3 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.364 0.415 . . . . 73.13 111.679 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.16 -27.98 7.1 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 123.333 0.396 . . . . 74.21 113.688 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -90.12 120.53 31.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.969 0.414 . . . . 61.3 111.461 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.11 122.38 47.39 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.931 . . . . 71.24 110.585 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.81 120.94 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.819 -0.628 . . . . 63.04 110.824 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 p -85.48 -9.33 57.6 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.41 -0.813 . . . . 53.54 112.259 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -76.2 -19.92 57.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.523 0.329 . . . . 63.24 111.134 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -136.05 -0.47 2.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.736 -0.665 . . . . 40.32 111.232 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.57 39.32 24.89 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.78 0.832 . . . . 71.41 111.769 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.4 p -139.09 160.7 39.16 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.604 -0.725 . . . . 74.43 111.323 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 134.74 34.21 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.116 -0.493 . . . . 73.51 111.558 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 89.9 mttt -132.91 163.86 28.22 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.494 -0.775 . . . . 71.31 110.968 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.6 128.23 35.57 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.777 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 tttp . . . . . 0 C--O 1.234 0.278 0 CA-C-N 116.035 -0.53 . . . . 74.42 110.847 -179.739 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.565 0.221 . . . . 74.14 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 t -125.47 155.52 40.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.908 -0.587 . . . . 62.13 110.762 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 169.83 31.56 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 115.816 -0.629 . . . . 73.01 112.939 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.542 0.656 0 CA-C-O 119.182 -0.437 . . . . 50.52 110.9 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 112.251 -0.34 . . . . 24.33 112.251 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 153.64 22.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.073 0.549 . . . . 75.51 111.694 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m -77.07 125.44 29.32 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.727 -0.669 . . . . 75.12 111.048 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.2 m -96.84 152.62 18.51 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 73.21 111.401 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.23 -152.57 12.94 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.84 -0.618 . . . . 65.43 112.532 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -101.53 -44.55 5.56 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.607 0.239 . . . . 74.14 111.218 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.67 0.9 56.68 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.374 0.421 . . . . 73.2 111.397 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -92.52 173.25 7.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.089 -0.505 . . . . 51.43 111.214 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -71.97 158.51 35.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.827 0.451 . . . . 74.35 111.845 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.619 ' H ' HD23 ' A' ' 15' ' ' LEU . 87.8 m-85 -75.64 153.44 37.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.066 -0.515 . . . . 71.42 111.778 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -97.81 138.33 35.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.68 -0.691 . . . . 62.45 111.709 -179.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.18 -19.01 30.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.676 -0.693 . . . . 64.54 111.956 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -86.37 -28.44 23.61 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.964 0.357 . . . . 73.13 111.964 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.02 -39.53 2.91 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 121.366 -0.445 . . . . 74.21 113.439 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 40.6 t80 -92.08 116.86 29.3 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.074 0.464 . . . . 61.3 111.674 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.0 m -114.55 120.22 39.45 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.003 -0.999 . . . . 71.24 109.984 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.2 127.94 33.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.007 -0.542 . . . . 63.04 110.831 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.7 m -83.9 -9.23 58.88 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.941 0.776 . . . . 53.54 112.352 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.0 -22.8 60.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.472 0.309 . . . . 63.24 111.081 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -139.43 -1.01 1.73 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.598 -0.728 . . . . 40.32 111.153 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.8 mttt 57.16 46.6 18.65 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.867 0.867 . . . . 71.41 111.513 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -140.92 163.94 31.6 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.633 -0.712 . . . . 74.43 111.956 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 132.71 38.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.855 -0.611 . . . . 73.51 111.872 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 21' ' ' PHE . 23.4 mttm -136.24 161.98 34.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.477 -0.783 . . . . 71.31 110.934 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.55 142.88 27.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.088 -0.505 . . . . 62.43 111.0 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.9 tttt . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.069 -0.514 . . . . 74.42 111.075 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.5 m95 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.413 0.149 . . . . 74.14 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 t -113.15 146.91 38.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.058 -0.519 . . . . 62.13 110.755 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.93 136.81 13.7 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.855 -0.611 . . . . 73.01 112.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 122.78 0.432 . . . . 50.52 111.314 -179.895 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.458 0 N-CA-C 112.427 -0.269 . . . . 24.33 112.427 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.81 153.21 18.41 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.827 0.451 . . . . 75.51 110.892 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.72 121.62 22.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 75.12 111.345 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.73 128.92 53.98 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.687 -0.688 . . . . 73.21 110.767 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.28 -47.42 0.23 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.871 -0.604 . . . . 65.43 112.645 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.34 152.8 18.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.507 0.323 . . . . 74.14 110.889 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tt -93.31 94.18 8.61 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.18 0.514 . . . . 73.2 110.713 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -144.7 -43.56 0.24 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.483 -0.781 . . . . 51.43 110.892 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -130.48 149.11 52.3 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.493 0.496 . . . . 74.35 110.772 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -93.06 152.47 19.26 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.042 -0.526 . . . . 71.42 110.843 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.83 138.76 33.02 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.851 -0.613 . . . . 62.45 111.408 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.57 -28.21 60.83 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.833 -0.621 . . . . 64.54 112.298 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 p -93.07 -28.85 16.1 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.266 0.354 . . . . 73.13 111.925 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.9 -20.35 20.54 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 121.543 -0.36 . . . . 74.21 113.82 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -90.58 122.56 33.49 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.948 0.404 . . . . 61.3 111.404 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 m -114.15 121.63 44.35 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.214 -0.903 . . . . 71.24 110.568 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.5 122.82 33.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.838 -0.619 . . . . 63.04 110.793 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -86.12 -7.33 58.66 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.568 -0.742 . . . . 53.54 112.361 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -75.47 -21.81 57.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.486 0.314 . . . . 63.24 111.188 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.85 0.25 1.97 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.263 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.3 45.88 16.4 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.829 0.852 . . . . 71.41 111.566 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 p -140.07 160.3 40.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.411 -0.813 . . . . 74.43 111.337 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 130.95 34.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.226 -0.443 . . . . 73.51 111.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -130.89 162.8 28.85 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.486 -0.779 . . . . 71.31 111.145 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.31 124.94 34.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.999 -0.546 . . . . 62.43 110.589 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.0 pttt . . . . . 0 N--CA 1.469 0.514 0 CA-C-N 116.119 -0.492 . . . . 74.42 111.541 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.518 0.199 . . . . 74.14 111.158 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -101.91 126.13 48.75 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.896 -0.593 . . . . 62.13 109.692 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.56 4.65 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 116.054 -0.521 . . . . 73.01 113.287 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.539 0.538 0 C-N-CA 122.797 0.439 . . . . 50.52 111.008 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 CA-C-O 120.247 -0.196 . . . . 24.33 112.755 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.8 153.4 19.16 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.603 0.361 . . . . 75.51 110.978 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 119.88 24.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.985 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -107.13 116.06 31.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.742 -0.663 . . . . 73.21 110.599 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.76 -49.46 0.57 Allowed Glycine 0 C--N 1.338 0.657 0 CA-C-N 115.927 -0.579 . . . . 65.43 112.951 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.38 -40.88 11.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.366 0.266 . . . . 74.14 111.646 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.08 147.7 22.63 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.384 0.427 . . . . 73.2 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -95.16 85.33 4.28 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.311 0.577 . . . . 51.43 111.105 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -144.83 139.51 27.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.316 -0.856 . . . . 74.35 110.025 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -94.46 157.02 16.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.75 -0.659 . . . . 71.42 111.208 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -83.9 138.59 33.09 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.702 -0.681 . . . . 62.45 111.714 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.2 -31.9 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.793 -0.639 . . . . 64.54 112.007 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 p -96.89 -28.07 14.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.038 -0.528 . . . . 73.13 111.083 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 100.84 45.5 1.91 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.051 -0.522 . . . . 74.21 113.334 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.0 t80 -143.46 113.69 7.34 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.065 0.46 . . . . 61.3 111.428 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.4 111.12 20.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.262 -0.881 . . . . 71.24 109.801 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 26' ' ' THR . 0.3 OUTLIER -77.79 119.64 21.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.949 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -84.42 -35.62 22.96 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.06 0.763 . . . . 53.54 113.06 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -37.8 82.97 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.58 0.229 . . . . 63.24 111.197 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 23' ' ' ASP . 71.2 p -98.32 -10.99 23.02 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.774 -0.648 . . . . 40.32 111.146 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 57.1 43.34 24.37 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 71.41 111.796 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -145.18 160.86 40.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.567 -0.742 . . . . 74.43 111.452 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 131.86 34.32 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.931 -0.577 . . . . 73.51 111.05 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.46 175.0 9.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.946 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -88.8 151.4 22.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.795 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 tttt . . . . . 0 CA--C 1.535 0.402 0 CA-C-N 116.073 -0.512 . . . . 74.42 111.028 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.6 m95 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 120.493 0.187 . . . . 74.14 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 34.7 t -129.07 140.68 51.49 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.889 -0.596 . . . . 62.13 110.668 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.02 170.97 22.12 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 115.652 -0.704 . . . . 73.01 112.503 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 119.133 -0.461 . . . . 50.52 110.763 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.483 0 N-CA-C 112.434 -0.266 . . . . 24.33 112.434 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.57 153.07 20.61 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.771 0.428 . . . . 75.51 110.991 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.486 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -80.08 134.01 36.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.932 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.7 t -104.39 145.11 30.73 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.869 -0.605 . . . . 73.21 111.039 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.37 -152.06 6.35 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.799 -0.637 . . . . 65.43 112.534 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.55 -41.25 6.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.275 0.23 . . . . 74.14 111.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.36 6.21 47.76 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 123.342 0.401 . . . . 73.2 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 9' ' ' THR . 75.9 mtt180 -92.99 171.56 8.87 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.134 -0.485 . . . . 51.43 111.115 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.84 170.48 15.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.868 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.618 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 88.3 m-85 -90.99 153.02 20.46 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 71.42 111.145 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.2 m -104.68 139.4 39.56 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 62.45 111.228 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.2 m -52.8 -31.36 38.27 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.463 0.912 . . . . 64.54 113.463 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -85.46 -29.04 24.63 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.867 0.321 . . . . 73.13 111.867 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.31 24.72 67.67 Favored Glycine 0 C--N 1.342 0.868 0 O-C-N 123.382 0.427 . . . . 74.21 113.971 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -127.99 120.04 26.73 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.99 0.424 . . . . 61.3 110.969 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.5 m -114.19 119.69 37.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.176 -0.92 . . . . 71.24 110.373 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.16 123.51 32.27 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.905 -0.589 . . . . 63.04 110.767 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.31 -7.47 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.509 -0.769 . . . . 53.54 112.449 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -73.47 -24.26 60.18 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.456 0.302 . . . . 63.24 111.108 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -139.96 1.33 1.85 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.685 -0.688 . . . . 40.32 111.169 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 tttt 57.91 44.03 20.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.898 0.879 . . . . 71.41 111.248 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -135.95 160.1 39.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.529 -0.759 . . . . 74.43 111.691 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 m -82.06 130.92 35.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.45 -0.795 . . . . 73.51 111.701 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -132.76 163.29 29.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.463 -0.79 . . . . 71.31 110.933 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.58 125.44 34.8 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.166 -0.47 . . . . 62.43 110.862 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttt . . . . . 0 C--O 1.235 0.342 0 CA-C-N 115.885 -0.598 . . . . 74.42 110.728 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.534 0.207 . . . . 74.14 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -115.98 142.86 46.22 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.023 -0.535 . . . . 62.13 110.308 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.43 132.8 11.39 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.99 -0.55 . . . . 73.01 112.861 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 122.674 0.389 . . . . 50.52 111.263 -179.613 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.456 0 CA-C-O 120.233 -0.204 . . . . 24.33 112.729 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.82 152.79 21.1 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.632 0.373 . . . . 75.51 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 140.67 29.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.029 -0.532 . . . . 75.12 111.146 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 75.3 m -108.05 148.45 29.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 73.21 110.877 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.72 -61.06 0.28 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.875 -0.602 . . . . 65.43 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -98.15 153.31 18.54 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.686 0.286 . . . . 74.14 110.871 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.47 99.18 11.71 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.079 -0.51 . . . . 73.2 111.174 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -142.8 -47.71 0.32 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.424 -0.807 . . . . 51.43 110.532 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -135.66 137.33 41.72 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 116.015 -0.539 . . . . 74.35 110.241 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -94.89 153.89 17.48 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.676 -0.693 . . . . 71.42 110.768 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.5 m -90.16 139.12 30.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.968 -0.56 . . . . 62.45 111.416 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.8 m -56.19 -26.35 50.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.195 0.813 . . . . 64.54 113.195 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -91.11 -29.01 17.54 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.068 0.23 . . . . 73.13 111.606 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.78 51.36 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 20.7 t80 -136.9 121.05 17.85 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.892 0.377 . . . . 61.3 111.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 m -114.04 117.44 31.3 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 71.24 110.625 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.07 124.81 34.65 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.818 -0.628 . . . . 63.04 110.65 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.29 -7.24 59.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.589 -0.732 . . . . 53.54 112.473 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -73.36 -25.34 60.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.456 0.302 . . . . 63.24 111.122 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -139.46 1.49 1.96 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.801 -0.636 . . . . 40.32 111.206 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.22 46.17 16.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.875 0.87 . . . . 71.41 111.433 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.34 158.1 44.32 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.45 -0.795 . . . . 74.43 111.527 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 17.6 m -80.62 132.49 35.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.595 -0.729 . . . . 73.51 111.686 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.5 mttt -131.33 166.85 20.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.443 -0.799 . . . . 71.31 111.059 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.37 140.35 29.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 62.43 110.629 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mttm . . . . . 0 N--CA 1.468 0.425 0 O-C-N 123.439 0.462 . . . . 74.42 111.241 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.591 0.234 . . . . 74.14 111.072 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 134.4 51.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.787 -0.642 . . . . 62.13 110.104 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 137.83 14.11 Favored Glycine 0 C--N 1.337 0.594 0 O-C-N 123.605 0.566 . . . . 73.01 112.892 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 122.569 0.348 . . . . 50.52 111.232 -179.737 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 112.544 -0.222 . . . . 24.33 112.544 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -98.66 153.19 18.88 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.757 0.423 . . . . 75.51 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.01 121.34 22.6 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.957 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.6 t -98.08 127.4 44.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.762 -0.654 . . . . 73.21 111.035 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.5 -122.54 4.85 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.719 -0.673 . . . . 65.43 112.317 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.04 -53.02 1.21 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.539 0.199 . . . . 74.14 110.99 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -142.4 77.2 1.57 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.27 0.557 . . . . 73.2 110.866 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.68 -58.69 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.578 -0.737 . . . . 51.43 110.525 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -149.68 136.28 19.27 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.832 0.453 . . . . 74.35 110.241 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -98.48 143.45 28.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.651 -0.704 . . . . 71.42 110.307 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.2 138.91 31.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 62.45 111.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -19.27 61.49 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.1 0.778 . . . . 64.54 113.1 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -87.96 -28.74 21.28 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.279 0.362 . . . . 73.13 111.708 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.25 60.26 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 123.377 0.423 . . . . 74.21 113.954 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.588 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.4 t80 -95.71 116.92 29.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.963 0.411 . . . . 61.3 111.327 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.6 m -114.99 111.57 21.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.264 -0.88 . . . . 71.24 110.275 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -81.93 120.36 25.12 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.112 -0.494 . . . . 63.04 110.977 179.493 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -85.92 -7.91 58.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.527 -0.76 . . . . 53.54 112.269 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -77.68 -22.23 50.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.463 0.305 . . . . 63.24 111.106 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.76 1.38 2.09 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.866 -0.606 . . . . 40.32 111.286 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.6 mttt 58.43 42.13 21.72 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.791 0.837 . . . . 71.41 111.625 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.7 p -137.72 154.18 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.449 -0.796 . . . . 74.43 111.605 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.43 138.22 32.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.485 -0.78 . . . . 73.51 111.545 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 94.2 mttt -137.57 178.01 7.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.681 -0.69 . . . . 71.31 110.827 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.54 145.08 25.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.33 -0.396 . . . . 62.43 110.631 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.7 tttt . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 116.057 -0.52 . . . . 74.42 111.289 -179.692 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.476 0.179 . . . . 74.14 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.17 151.68 37.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.974 -0.557 . . . . 62.13 110.672 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -86.05 159.76 32.99 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-N 115.952 -0.567 . . . . 73.01 113.155 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 119.089 -0.481 . . . . 50.52 111.031 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 112.413 -0.275 . . . . 24.33 112.413 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.23 153.41 18.07 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 122.812 0.445 . . . . 75.51 111.144 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -74.3 124.76 27.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.041 -0.527 . . . . 75.12 111.2 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.4 m -96.48 138.64 33.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.874 -0.603 . . . . 73.21 111.035 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.22 -152.49 9.36 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.661 0.6 . . . . 65.43 112.582 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.46 -40.67 6.59 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.64 0.259 . . . . 74.14 111.257 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.66 -1.7 54.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.557 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.46 174.49 7.35 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.198 -0.455 . . . . 51.43 111.193 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.3 tt -72.01 151.65 43.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.21 -0.45 . . . . 74.35 111.276 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.581 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -71.82 151.6 43.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.115 -0.493 . . . . 71.42 111.204 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.73 137.96 35.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.798 -0.637 . . . . 62.45 111.959 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -9.98 39.76 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.502 -0.772 . . . . 64.54 111.597 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -89.45 -28.65 19.56 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.307 0.379 . . . . 73.13 111.56 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -40.98 2.59 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 121.401 -0.428 . . . . 74.21 113.631 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -92.05 117.01 29.43 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.165 0.507 . . . . 61.3 111.827 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -114.2 119.43 37.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.994 -1.003 . . . . 71.24 110.15 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 121.14 27.0 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.886 -0.597 . . . . 63.04 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.66 -10.05 57.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.437 -0.801 . . . . 53.54 112.231 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.09 -19.83 59.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.473 0.309 . . . . 63.24 111.095 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -136.54 -0.83 2.35 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.666 -0.697 . . . . 40.32 111.169 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 9' ' ' THR . 58.0 mmtt 58.95 37.23 24.67 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.868 0.867 . . . . 71.41 111.728 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -136.26 161.77 34.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 74.43 111.432 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 136.83 34.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.156 -0.474 . . . . 73.51 112.056 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -136.13 162.09 33.9 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.405 -0.816 . . . . 71.31 111.073 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.51 127.8 35.54 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.149 -0.478 . . . . 62.43 110.93 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 115.949 -0.568 . . . . 74.42 111.126 -179.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.476 -0.249 . . . . 64.33 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -96.37 156.68 16.24 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.382 0.273 . . . . 74.14 110.971 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.5 t -126.78 154.79 43.78 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.894 -0.593 . . . . 62.13 110.639 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.06 129.12 9.3 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.922 -0.581 . . . . 73.01 112.807 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.77 154.36 20.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.71 0.404 . . . . 50.52 111.233 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.81 -2.1 25.93 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.62 -0.718 . . . . 24.33 112.632 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.41 153.03 17.89 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.699 0.4 . . . . 75.51 111.001 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -80.6 122.63 27.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.587 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -110.82 133.17 53.58 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.851 -0.613 . . . . 73.21 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.81 -71.13 0.43 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.922 -0.581 . . . . 65.43 112.74 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.13 -15.19 21.06 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.822 0.304 . . . . 74.14 111.822 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 14' ' ' ARG . 4.0 tp -93.45 164.93 13.0 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.255 0.347 . . . . 73.2 111.066 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 98.8 mtt180 -78.56 -176.33 4.77 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.016 -0.538 . . . . 51.43 111.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt 69.53 145.06 0.05 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.197 0.999 . . . . 74.35 112.069 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -108.74 169.07 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.438 -0.801 . . . . 71.42 110.994 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -82.55 138.37 34.29 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.99 -0.55 . . . . 62.45 111.628 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.9 -34.72 79.08 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.865 -0.607 . . . . 64.54 112.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -92.86 -28.07 16.74 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.104 -0.498 . . . . 73.13 111.227 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 96.15 38.03 4.7 Favored Glycine 0 C--N 1.34 0.773 0 O-C-N 123.559 0.537 . . . . 74.21 113.278 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -140.37 114.99 9.46 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.038 0.447 . . . . 61.3 111.29 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 m -115.01 120.35 39.56 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.168 -0.924 . . . . 71.24 109.885 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.32 122.08 26.46 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.194 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 t -88.05 -8.24 55.84 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.518 -0.764 . . . . 53.54 112.083 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -76.21 -20.04 57.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.449 0.3 . . . . 63.24 111.244 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.5 -1.8 1.84 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.813 -0.63 . . . . 40.32 111.223 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.36 51.88 7.84 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.787 0.835 . . . . 71.41 111.534 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -140.3 162.15 35.97 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.481 -0.782 . . . . 74.43 111.504 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 126.18 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.872 -0.604 . . . . 73.51 110.868 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 88.1 mttt -133.01 158.24 43.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.031 -0.531 . . . . 71.31 111.293 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.01 143.04 27.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.982 -0.554 . . . . 62.43 110.766 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -93.45 146.59 23.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.117 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 p -99.87 144.52 28.84 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.836 -0.62 . . . . 72.25 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 p -100.73 135.95 41.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.852 -0.613 . . . . 65.25 110.953 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.106 -0.949 . . . . 62.42 111.082 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.491 -0.244 . . . . 64.33 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -96.24 156.73 16.22 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.272 . . . . 74.14 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -107.57 147.35 30.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.016 -0.538 . . . . 62.13 110.257 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 119.45 5.79 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 116.144 -0.48 . . . . 73.01 113.074 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.65 153.95 19.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.721 0.408 . . . . 50.52 111.096 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.64 8.16 21.22 Favored Glycine 0 CA--C 1.523 0.575 0 CA-C-N 115.592 -0.731 . . . . 24.33 112.889 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.89 153.13 19.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.495 0.318 . . . . 75.51 111.067 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.551 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.27 122.65 29.75 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.026 -0.534 . . . . 75.12 110.812 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -107.43 129.03 54.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.892 -0.595 . . . . 73.21 110.865 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.53 -53.24 0.65 Allowed Glycine 0 C--N 1.337 0.618 0 O-C-N 123.596 0.56 . . . . 65.43 112.883 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.14 -20.0 18.28 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.02 0.378 . . . . 74.14 112.02 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 9' ' ' THR . 5.9 mp -92.01 155.77 17.88 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.193 0.308 . . . . 73.2 111.402 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -88.44 -3.73 58.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.779 -0.646 . . . . 51.43 111.828 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -89.91 129.49 36.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.365 -0.379 . . . . 74.35 110.618 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.58 170.6 9.22 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.639 -0.709 . . . . 71.42 111.195 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.4 m -79.27 139.11 37.97 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.08 -0.509 . . . . 62.45 111.714 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -57.56 -29.67 64.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.906 -0.588 . . . . 64.54 112.485 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 p -91.86 -27.97 17.61 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.447 0.467 . . . . 73.13 111.411 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.83 36.63 4.96 Favored Glycine 0 C--N 1.34 0.784 0 O-C-N 123.52 0.512 . . . . 74.21 113.198 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 30.3 t80 -141.63 122.14 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.899 0.38 . . . . 61.3 111.082 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.2 m -114.22 123.44 49.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.274 -0.875 . . . . 71.24 110.127 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.552 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -88.19 120.56 29.66 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.136 -0.484 . . . . 63.04 110.647 179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.9 p -85.24 -7.45 59.02 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.539 -0.755 . . . . 53.54 112.484 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -73.97 -25.28 59.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.425 0.29 . . . . 63.24 111.232 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.59 0.58 1.85 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.276 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.17 53.41 6.62 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.758 0.823 . . . . 71.41 111.296 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -137.26 162.33 33.8 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.408 -0.815 . . . . 74.43 111.944 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.95 125.9 32.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.337 -0.847 . . . . 73.51 111.254 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.8 mttt -135.93 159.97 40.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.864 -0.607 . . . . 71.31 110.918 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.59 143.19 27.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.046 -0.524 . . . . 62.43 110.771 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -92.57 139.12 30.9 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.54 0.525 . . . . 74.42 110.824 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.2 m -100.43 142.29 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 72.25 110.945 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -127.78 144.61 51.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.896 -0.593 . . . . 65.25 110.725 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.494 -0.765 . . . . 62.42 111.112 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.459 -0.256 . . . . 64.33 112.459 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.4 m-90 -96.37 148.72 22.48 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.337 0.255 . . . . 74.14 110.991 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -110.02 157.28 19.47 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.929 -0.578 . . . . 62.13 110.705 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.84 138.02 14.89 Favored Glycine 0 C--N 1.34 0.797 0 CA-C-N 116.064 -0.516 . . . . 73.01 112.868 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.61 159.16 16.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.627 0.371 . . . . 50.52 111.109 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.96 11.48 37.08 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.687 -0.688 . . . . 24.33 112.686 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.86 153.35 19.22 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.643 0.377 . . . . 75.51 111.112 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.14 132.61 36.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.009 -0.541 . . . . 75.12 110.977 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.74 125.77 42.73 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.882 -0.599 . . . . 73.21 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.81 -124.21 0.7 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.899 -0.592 . . . . 65.43 112.735 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.79 -39.71 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.636 0.257 . . . . 74.14 111.317 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.08 -12.59 37.98 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.354 0.409 . . . . 73.2 111.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -93.37 171.39 8.95 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.415 0.447 . . . . 51.43 111.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.7 155.28 37.89 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.733 0.413 . . . . 74.35 111.898 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -89.08 166.38 13.9 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.757 -0.656 . . . . 71.42 111.258 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.5 m -82.04 138.24 34.89 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.072 -0.513 . . . . 62.45 111.317 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -73.15 -16.57 61.44 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.026 -0.534 . . . . 64.54 112.055 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -98.6 -28.25 13.64 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.452 0.47 . . . . 73.13 111.115 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 36.76 5.42 Favored Glycine 0 C--N 1.341 0.841 0 O-C-N 123.552 0.533 . . . . 74.21 113.37 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 28.0 t80 -141.24 119.94 12.54 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.928 0.394 . . . . 61.3 111.192 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 36.1 m -114.14 120.88 42.01 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.152 -0.931 . . . . 71.24 110.078 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -87.52 121.86 30.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.138 -0.483 . . . . 63.04 110.664 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.8 m -84.06 -7.26 59.44 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.906 0.754 . . . . 53.54 112.453 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -73.37 -24.7 60.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.434 0.294 . . . . 63.24 111.073 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -140.05 0.02 1.71 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.741 -0.663 . . . . 40.32 111.232 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.96 51.9 8.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.842 0.857 . . . . 71.41 111.296 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -139.42 163.17 33.22 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.972 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.45 128.65 34.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.332 -0.849 . . . . 73.51 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 81.6 mttt -135.93 159.8 40.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.925 -0.58 . . . . 71.31 111.142 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.23 147.64 24.04 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 62.43 110.855 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 30.2 mmtt -90.76 -42.08 10.89 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.452 0.47 . . . . 74.42 111.422 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.3 m -110.6 141.72 43.42 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.444 0.465 . . . . 72.25 110.853 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.4 m -127.4 -42.35 1.67 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.869 -0.605 . . . . 65.25 111.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.102 -0.952 . . . . 62.42 111.13 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.521 -0.232 . . . . 64.33 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -96.37 153.42 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.329 0.252 . . . . 74.14 111.078 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -130.85 149.62 52.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.898 -0.592 . . . . 62.13 110.165 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.39 148.79 31.39 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.071 -0.513 . . . . 73.01 113.453 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -90.85 155.38 18.81 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.774 0.43 . . . . 50.52 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.78 12.34 12.89 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.444 -0.798 . . . . 24.33 112.503 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.53 153.37 18.21 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.728 0.411 . . . . 75.51 111.022 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.92 121.9 24.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.052 -0.522 . . . . 75.12 111.001 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 35.8 t -100.83 146.52 27.19 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.906 -0.588 . . . . 73.21 111.064 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.94 -120.68 0.96 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.672 -0.695 . . . . 65.43 112.178 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.54 84.8 2.82 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.281 0.562 . . . . 74.14 110.502 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.13 164.07 30.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.322 -0.854 . . . . 73.2 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.85 -28.16 28.2 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.17 -0.468 . . . . 51.43 111.507 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 tp -96.01 123.5 39.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.475 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -95.65 154.23 17.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.602 -0.726 . . . . 71.42 110.802 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -81.82 139.12 34.94 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.997 -0.547 . . . . 62.45 112.129 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -5.21 24.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.414 -0.812 . . . . 64.54 112.891 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.0 m -85.51 -28.77 24.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.01 0.374 . . . . 73.13 112.01 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.42 -42.59 3.14 Favored Glycine 0 C--N 1.343 0.929 0 C-N-CA 121.453 -0.403 . . . . 74.21 113.628 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.53 126.12 35.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.95 0.405 . . . . 61.3 111.528 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 m -114.32 126.9 55.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 71.24 110.671 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -93.16 118.62 31.43 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.907 -0.588 . . . . 63.04 110.614 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -86.22 -8.1 58.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.514 -0.766 . . . . 53.54 112.181 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -76.81 -19.98 56.92 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.481 0.312 . . . . 63.24 111.162 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p -138.74 0.89 2.05 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.823 -0.626 . . . . 40.32 111.298 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.54 40.82 23.37 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.81 0.844 . . . . 71.41 111.764 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.1 p -132.26 158.01 42.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.573 -0.739 . . . . 74.43 111.483 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 10' ' ' CYS . 80.5 m -86.48 126.81 34.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.56 -0.745 . . . . 73.51 111.308 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.0 mttt -130.95 167.89 18.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.641 -0.708 . . . . 71.31 110.984 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.42 147.1 24.87 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.134 -0.485 . . . . 62.43 110.742 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -92.07 -39.57 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.544 0.527 . . . . 74.42 111.416 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -95.05 128.73 42.1 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.419 0.45 . . . . 72.25 111.166 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -129.93 147.54 51.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.824 -0.625 . . . . 65.25 110.766 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.518 -0.753 . . . . 62.42 111.125 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.511 -0.236 . . . . 64.33 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -96.35 146.84 24.39 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.614 0.243 . . . . 74.14 110.913 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 95.2 m -118.38 148.26 42.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.028 -0.533 . . . . 62.13 111.088 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 156.49 23.09 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.632 -0.713 . . . . 73.01 112.508 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.81 158.63 21.63 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 119.13 -0.462 . . . . 50.52 110.984 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.86 11.81 13.62 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.409 -0.814 . . . . 24.33 112.454 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -93.13 152.87 18.99 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 122.788 0.435 . . . . 75.51 110.792 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 126.45 30.79 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.37 0.419 . . . . 75.12 111.544 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.8 t -117.49 126.55 52.8 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.641 -0.709 . . . . 73.21 110.588 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.72 -49.46 0.14 Allowed Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.96 -0.564 . . . . 65.43 112.521 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.96 157.69 16.2 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 122.504 0.322 . . . . 74.14 110.949 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -88.13 93.52 9.52 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.21 0.528 . . . . 73.2 111.282 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -143.34 -46.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.29 -0.868 . . . . 51.43 110.527 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 16' ' ' TYR . 2.3 tt -133.7 142.76 48.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.244 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 91.5 m-85 -105.48 132.67 51.35 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.621 0.575 . . . . 71.42 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.56 138.0 31.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 62.45 111.219 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.77 -2.74 31.23 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.919 -0.582 . . . . 64.54 112.561 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' HA ' ' A' ' 31' ' ' ASP . 13.6 t -90.23 -29.13 18.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.642 -0.253 . . . . 73.13 111.352 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 -32.58 3.05 Favored Glycine 0 C--N 1.344 1.021 0 N-CA-C 114.073 0.389 . . . . 74.21 114.073 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.22 120.4 32.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.049 0.452 . . . . 61.3 111.838 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -114.93 123.93 50.39 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.124 -0.943 . . . . 71.24 110.044 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -84.81 121.99 28.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.13 -0.486 . . . . 63.04 111.101 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.2 m -88.08 -9.93 51.74 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.537 -0.756 . . . . 53.54 112.116 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.21 -19.89 57.98 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.537 0.335 . . . . 63.24 111.187 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -138.1 -1.69 1.93 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.827 -0.624 . . . . 40.32 111.321 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.04 49.28 11.85 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.85 0.86 . . . . 71.41 111.559 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.1 p -139.45 157.8 45.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.393 -0.821 . . . . 74.43 111.736 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.18 125.02 30.42 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.224 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.8 mttt -131.86 161.85 32.0 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.719 -0.673 . . . . 71.31 111.258 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 8.1 m-20 -88.52 142.75 27.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.984 -0.553 . . . . 62.43 110.768 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -93.99 145.1 24.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.093 -0.503 . . . . 74.42 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.7 t -128.07 -43.26 1.5 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.839 -0.619 . . . . 72.25 111.033 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -101.92 140.29 36.4 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.426 0.454 . . . . 65.25 110.754 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.153 -0.927 . . . . 62.42 111.09 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.49 -0.244 . . . . 64.33 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -96.35 134.74 39.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.337 0.255 . . . . 74.14 110.939 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -101.56 136.91 40.6 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.862 -0.608 . . . . 62.13 110.595 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.69 143.61 16.83 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.936 -0.575 . . . . 73.01 112.931 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.96 159.5 23.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 122.793 0.437 . . . . 50.52 111.193 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.88 12.61 23.8 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.523 -0.762 . . . . 24.33 112.597 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 153.3 17.77 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.697 0.399 . . . . 75.51 111.202 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -81.26 137.7 35.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.819 -0.628 . . . . 75.12 110.99 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 86.4 m -95.69 152.87 18.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.928 -0.578 . . . . 73.21 111.354 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.86 -160.11 33.45 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.807 -0.633 . . . . 65.43 112.722 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -97.56 -44.31 6.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.374 0.27 . . . . 74.14 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.55 -3.49 54.98 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.367 0.417 . . . . 73.2 111.326 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -92.45 172.49 8.35 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.849 -0.614 . . . . 51.43 110.956 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -75.92 152.9 36.99 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.399 -0.364 . . . . 74.35 111.56 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' H ' HD23 ' A' ' 15' ' ' LEU . 88.5 m-85 -83.26 159.88 21.86 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.893 -0.594 . . . . 71.42 111.459 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 58.1 m -93.28 138.57 31.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.818 -0.628 . . . . 62.45 111.334 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.52 -14.8 61.28 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.589 0.556 . . . . 64.54 112.119 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.6 m -94.81 -28.4 15.27 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.329 0.393 . . . . 73.13 111.595 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.71 -22.28 40.04 Favored Glycine 0 C--N 1.34 0.798 0 O-C-N 123.448 0.467 . . . . 74.21 113.603 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 31.3 t80 -95.38 123.01 38.69 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.986 0.422 . . . . 61.3 111.558 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.6 m -114.44 124.78 52.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.135 -0.939 . . . . 71.24 110.321 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.582 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.79 125.23 35.23 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.429 179.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -82.87 -7.21 59.68 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.044 0.84 . . . . 53.54 112.405 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -71.05 -27.57 63.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.438 0.295 . . . . 63.24 111.196 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -140.54 1.23 1.73 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.682 -0.69 . . . . 40.32 111.248 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.74 52.98 7.52 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.808 0.843 . . . . 71.41 111.139 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -139.04 166.57 24.15 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.444 -0.798 . . . . 74.43 112.176 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.73 130.9 35.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.32 -0.854 . . . . 73.51 111.358 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 78.2 mttt -139.66 157.65 45.42 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.495 0.497 . . . . 71.31 111.239 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.87 147.39 23.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.791 -0.64 . . . . 62.43 110.78 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -93.34 -42.35 9.35 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.42 0.45 . . . . 74.42 111.383 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -101.7 139.81 36.84 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.39 0.431 . . . . 72.25 110.975 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -127.38 -42.91 1.64 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.974 -0.557 . . . . 65.25 111.108 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.568 -0.73 . . . . 62.42 111.027 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.554 -0.218 . . . . 64.33 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -96.31 151.82 19.17 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.328 0.251 . . . . 74.14 110.92 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.96 151.71 33.64 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.959 -0.564 . . . . 62.13 110.412 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.81 137.48 14.84 Favored Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.812 -0.631 . . . . 73.01 112.819 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -87.99 159.09 18.45 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 119.261 -0.4 . . . . 50.52 111.243 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.28 12.58 15.05 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.58 -0.736 . . . . 24.33 112.68 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -91.46 153.03 20.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.638 0.375 . . . . 75.51 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 134.69 34.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.973 -0.558 . . . . 75.12 110.997 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 61.7 m -102.53 127.59 49.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.593 . . . . 73.21 110.882 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.12 -33.79 5.8 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.904 -0.589 . . . . 65.43 113.259 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.23 -39.02 12.32 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.826 0.306 . . . . 74.14 111.826 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.59 154.32 17.43 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.316 0.385 . . . . 73.2 111.264 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.96 -8.85 53.35 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.842 -0.617 . . . . 51.43 111.814 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 tp -90.48 136.6 32.96 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.248 -0.433 . . . . 74.35 110.724 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -92.2 153.72 19.12 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.604 -0.725 . . . . 71.42 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 55.4 m -89.59 139.45 30.53 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.987 -0.552 . . . . 62.45 111.754 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -56.22 -19.83 15.54 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.571 0.952 . . . . 64.54 113.571 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -83.22 -29.06 28.8 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.931 0.345 . . . . 73.13 111.931 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.09 -27.57 4.44 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -89.33 121.46 31.62 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.976 0.417 . . . . 61.3 111.666 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.48 123.37 49.23 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.137 -0.938 . . . . 71.24 110.25 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.562 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.13 124.77 34.64 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.005 -0.543 . . . . 63.04 110.908 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.38 -9.56 58.32 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.486 -0.779 . . . . 53.54 112.318 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -73.26 -21.96 60.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.47 0.308 . . . . 63.24 111.059 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -139.39 -0.32 1.8 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.674 -0.694 . . . . 40.32 111.137 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 57.8 42.07 23.96 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.849 0.86 . . . . 71.41 111.562 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.7 p -136.12 162.81 31.88 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.559 -0.746 . . . . 74.43 111.69 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 42.0 m -80.81 131.76 35.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.501 -0.772 . . . . 73.51 111.76 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 84.6 mttt -133.85 161.34 35.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.713 -0.676 . . . . 71.31 110.833 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.73 130.3 35.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.023 -0.535 . . . . 62.43 110.802 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -93.29 126.06 38.21 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 74.42 110.714 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -129.93 147.27 51.67 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.881 -0.599 . . . . 72.25 111.034 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -108.16 135.48 49.44 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.84 -0.618 . . . . 65.25 110.897 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.096 -0.954 . . . . 62.42 111.114 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.453 -0.259 . . . . 64.33 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -96.24 130.57 43.28 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.322 0.249 . . . . 74.14 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 71.0 m -107.85 147.45 30.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.984 -0.553 . . . . 62.13 110.925 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.28 -174.15 31.38 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.676 -0.693 . . . . 73.01 112.755 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.82 155.06 16.97 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 119.328 -0.368 . . . . 50.52 110.65 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.63 12.67 16.14 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.298 -0.865 . . . . 24.33 112.25 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -86.04 153.19 22.3 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.969 0.508 . . . . 75.51 111.339 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.08 122.2 23.91 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.077 -0.51 . . . . 75.12 111.301 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.7 t -111.32 144.69 40.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.79 -0.641 . . . . 73.21 110.794 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.51 -140.74 4.68 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.646 0.591 . . . . 65.43 112.567 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.15 -40.76 9.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 122.417 0.287 . . . . 74.14 111.565 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.6 -9.88 53.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.253 -0.431 . . . . 73.2 111.712 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.56 166.16 12.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 51.43 110.975 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.91 168.67 19.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.24 -0.436 . . . . 74.35 111.557 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 10.6 t80 -90.12 145.67 24.87 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.312 -0.404 . . . . 71.42 110.797 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.9 m -98.82 139.06 35.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.849 -0.614 . . . . 62.45 111.256 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 m -72.1 -2.44 18.53 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.758 0.651 . . . . 64.54 112.758 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -84.56 -28.71 26.42 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.304 0.242 . . . . 73.13 111.544 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.65 15.71 72.63 Favored Glycine 0 C--N 1.343 0.929 0 O-C-N 123.485 0.491 . . . . 74.21 114.236 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 33.7 t80 -135.22 113.69 11.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 117.175 0.487 . . . . 61.3 111.507 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 108.97 17.1 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.088 -0.96 . . . . 71.24 109.928 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -76.21 120.53 21.62 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.187 -0.46 . . . . 63.04 111.084 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.5 m -85.67 -7.39 58.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.561 -0.745 . . . . 53.54 112.374 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -77.44 -23.64 50.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.476 0.311 . . . . 63.24 111.19 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.9 p -139.03 1.27 2.02 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.867 -0.606 . . . . 40.32 111.358 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.5 mttt 58.28 47.58 13.88 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.781 0.832 . . . . 71.41 111.475 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.7 p -139.58 153.96 47.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.594 -0.73 . . . . 74.43 111.814 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.91 133.44 34.72 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.414 -0.812 . . . . 73.51 111.335 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.5 170.75 15.55 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.568 0.542 . . . . 71.31 111.182 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.82 154.03 20.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.082 -0.508 . . . . 62.43 110.71 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.5 149.28 22.26 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.209 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 t -127.61 129.61 47.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.668 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -108.56 146.36 33.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.901 -0.591 . . . . 65.25 110.845 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.138 -0.934 . . . . 62.42 111.099 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.544 -0.222 . . . . 64.33 112.544 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -96.3 147.33 23.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.375 0.27 . . . . 74.14 111.004 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -100.11 146.72 26.47 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.901 -0.59 . . . . 62.13 110.631 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 125.16 8.38 Favored Glycine 0 C--N 1.338 0.649 0 O-C-N 123.574 0.546 . . . . 73.01 112.838 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.49 158.88 16.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 122.648 0.379 . . . . 50.52 110.938 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.71 -3.0 26.06 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.709 -0.678 . . . . 24.33 112.868 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.97 151.96 19.18 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.423 0.289 . . . . 75.51 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.06 123.71 32.43 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.898 -0.592 . . . . 75.12 110.891 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.7 p -121.84 122.59 39.8 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.575 0.547 . . . . 73.21 111.063 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.45 0.01 OUTLIER Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.556 -0.747 . . . . 65.43 112.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -94.99 165.6 12.36 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.531 0.332 . . . . 74.14 110.566 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.4 89.77 6.14 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.407 0.622 . . . . 73.2 111.341 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.17 -46.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.201 -0.909 . . . . 51.43 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -132.22 149.21 52.43 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.56 0.537 . . . . 74.35 110.612 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' H ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -108.54 160.06 16.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.004 -0.544 . . . . 71.42 111.139 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -80.49 138.38 36.56 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.693 -0.685 . . . . 62.45 111.389 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.82 -36.32 82.11 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.032 -0.531 . . . . 64.54 112.178 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -96.42 -27.99 14.65 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.457 0.473 . . . . 73.13 111.05 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.47 32.58 5.97 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 116.096 -0.502 . . . . 74.21 113.05 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -141.71 119.99 12.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.779 0.323 . . . . 61.3 110.97 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.04 124.98 52.99 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.526 -0.761 . . . . 71.24 110.161 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -82.12 123.77 29.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.12 -0.491 . . . . 63.04 110.988 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 t -85.66 -7.49 58.78 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.946 0.779 . . . . 53.54 112.124 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.88 -22.51 56.07 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.496 0.318 . . . . 63.24 111.128 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.45 -1.47 1.68 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.784 -0.644 . . . . 40.32 111.224 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 58.3 51.73 8.08 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.867 0.867 . . . . 71.41 111.332 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 p -134.74 161.28 35.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.494 -0.775 . . . . 74.43 111.919 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 122.2 28.48 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.659 -0.7 . . . . 73.51 110.87 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 85.5 mttt -130.16 165.9 21.36 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.95 -0.568 . . . . 71.31 111.233 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.56 144.49 26.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.079 -0.509 . . . . 62.43 110.845 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -96.3 -43.28 7.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.017 -0.538 . . . . 74.42 111.108 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.3 m -121.22 142.78 49.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.926 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m -127.61 -42.13 1.65 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.857 -0.61 . . . . 65.25 111.274 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.539 -0.743 . . . . 62.42 111.119 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.501 -0.24 . . . . 64.33 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -96.34 151.92 19.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.343 0.257 . . . . 74.14 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.41 130.35 49.16 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.962 -0.563 . . . . 62.13 109.784 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 119.86 5.1 Favored Glycine 0 C--N 1.338 0.66 0 O-C-N 123.548 0.53 . . . . 73.01 113.343 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -93.32 155.24 17.52 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.851 0.46 . . . . 50.52 111.072 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.28 3.96 29.16 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-N 115.644 -0.707 . . . . 24.33 112.767 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.25 18.86 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 122.617 0.367 . . . . 75.51 111.037 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 117.03 22.83 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.041 -0.527 . . . . 75.12 110.919 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.68 121.63 43.98 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.821 -0.627 . . . . 73.21 110.777 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.4 -100.04 2.64 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.797 -0.638 . . . . 65.43 112.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -125.15 -54.0 1.61 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.654 0.267 . . . . 74.14 110.553 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.33 90.79 2.13 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.071 0.462 . . . . 73.2 110.877 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.64 -59.44 0.37 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.638 -0.71 . . . . 51.43 110.352 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -147.88 143.47 27.43 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.442 0.464 . . . . 74.35 110.008 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.67 158.2 15.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.824 -0.625 . . . . 71.42 111.215 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.616 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -85.8 138.47 32.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.827 -0.624 . . . . 62.45 111.658 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -27.98 69.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.875 -0.602 . . . . 64.54 111.935 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 p -99.15 -28.22 13.46 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.535 . . . . 73.13 111.0 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.616 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.91 45.9 2.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 116.069 -0.514 . . . . 74.21 113.321 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 26.1 t80 -145.91 113.91 6.53 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.064 0.459 . . . . 61.3 111.439 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.45 113.85 24.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.331 -0.85 . . . . 71.24 109.931 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.92 118.81 21.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.227 -0.442 . . . . 63.04 111.238 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 t -89.37 -9.34 50.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.508 -0.769 . . . . 53.54 111.906 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -78.68 -26.61 45.03 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.509 0.324 . . . . 63.24 111.042 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -128.98 -1.82 5.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.806 -0.634 . . . . 40.32 111.151 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.42 48.12 12.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.874 0.87 . . . . 71.41 111.571 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.11 157.34 45.43 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.56 -0.746 . . . . 74.43 111.589 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 130.36 34.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.836 -0.62 . . . . 73.51 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 89.9 mttt -137.57 169.63 17.46 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.368 0.418 . . . . 71.31 111.142 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 159.25 17.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.081 -0.508 . . . . 62.43 110.737 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -86.45 -42.34 13.67 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.419 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 m -114.23 150.38 34.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.925 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.3 m -97.81 -42.09 7.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.858 -0.61 . . . . 65.25 111.368 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.138 -0.934 . . . . 62.42 111.053 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.491 -0.244 . . . . 64.33 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.404 ' O ' HD21 ' A' ' 15' ' ' LEU . 85.8 m95 -96.35 131.32 43.01 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.317 0.247 . . . . 74.14 110.968 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -119.37 155.54 31.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.986 -0.552 . . . . 62.13 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.499 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -90.49 145.42 17.99 Favored Glycine 0 C--N 1.34 0.758 0 CA-C-N 116.008 -0.542 . . . . 73.01 113.075 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.95 159.64 15.08 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 119.179 -0.438 . . . . 50.52 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 10.28 37.34 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.572 -0.74 . . . . 24.33 112.715 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.0 153.64 19.03 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.608 0.363 . . . . 75.51 111.07 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.13 122.81 26.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.969 -0.559 . . . . 75.12 110.997 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -102.39 148.27 25.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.885 -0.598 . . . . 73.21 111.047 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.09 -142.73 4.8 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.855 -0.612 . . . . 65.43 112.61 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.75 -43.96 6.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.398 0.279 . . . . 74.14 111.276 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -92.98 -4.25 53.01 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.364 0.415 . . . . 73.2 111.467 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 9' ' ' THR . 35.6 mtm180 -91.76 174.82 7.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.998 -0.546 . . . . 51.43 110.962 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -71.84 155.42 40.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.746 0.418 . . . . 74.35 111.759 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' H ' HD23 ' A' ' 15' ' ' LEU . 89.5 m-85 -83.69 162.84 20.58 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.911 -0.586 . . . . 71.42 111.853 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.03 138.64 31.33 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.656 -0.702 . . . . 62.45 111.505 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.7 -30.33 64.13 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.898 -0.592 . . . . 64.54 111.984 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 m -92.73 -28.11 16.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.309 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 98.75 30.38 6.84 Favored Glycine 0 C--N 1.339 0.743 0 O-C-N 123.486 0.491 . . . . 74.21 113.363 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -139.71 115.3 10.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.001 0.429 . . . . 61.3 111.268 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.0 m -114.74 120.74 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.25 -0.886 . . . . 71.24 109.911 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -80.89 120.46 24.74 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.133 -0.485 . . . . 63.04 111.103 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -85.44 -9.79 57.03 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.368 -0.833 . . . . 53.54 112.331 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -74.42 -20.44 60.04 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.165 0.29 . . . . 63.24 111.144 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -139.47 -1.2 1.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.726 -0.67 . . . . 40.32 111.221 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 58.29 45.31 17.28 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.848 0.859 . . . . 71.41 111.543 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -131.03 161.32 32.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.499 -0.773 . . . . 74.43 111.598 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 126.16 33.39 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.753 -0.658 . . . . 73.51 111.031 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.1 mttt -133.66 160.63 36.95 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.954 -0.566 . . . . 71.31 111.127 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.44 143.46 26.97 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.028 -0.533 . . . . 62.43 110.835 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -94.48 -43.41 8.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.009 -0.541 . . . . 74.42 111.079 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.8 p -105.77 145.59 30.94 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.332 0.395 . . . . 72.25 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -127.48 -42.69 1.63 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.84 -0.618 . . . . 65.25 111.224 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.943 0.897 . . . . 62.42 112.256 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.54 -0.224 . . . . 64.33 112.54 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -96.23 140.83 30.35 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.384 0.273 . . . . 74.14 111.065 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.36 134.06 45.0 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.626 0.579 . . . . 62.13 110.571 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.81 136.9 13.29 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.588 0.555 . . . . 73.01 113.043 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.63 158.94 16.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 119.23 -0.414 . . . . 50.52 111.017 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.16 9.39 36.72 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.653 -0.703 . . . . 24.33 112.725 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.04 153.26 19.36 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.564 0.346 . . . . 75.51 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -83.89 122.63 28.98 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 75.12 110.727 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.96 150.33 22.99 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.902 -0.59 . . . . 73.21 111.299 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.99 -135.41 2.18 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-N 115.818 -0.628 . . . . 65.43 112.455 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -103.02 -46.25 4.71 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.277 0.231 . . . . 74.14 111.149 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.54 3.74 50.54 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.384 0.427 . . . . 73.2 111.25 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 9' ' ' THR . 73.1 mtt180 -91.69 177.09 6.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.025 -0.534 . . . . 51.43 111.156 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -71.14 152.98 42.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 122.789 0.436 . . . . 74.35 111.727 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -81.79 160.52 23.54 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.851 -0.613 . . . . 71.42 111.386 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -87.25 138.63 31.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.776 -0.647 . . . . 62.45 111.768 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 m -69.53 -34.8 74.76 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.781 -0.645 . . . . 64.54 112.089 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -92.33 -28.11 17.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.239 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 99.15 31.32 6.26 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.418 0.449 . . . . 74.21 113.309 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.69 116.73 11.7 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.988 0.423 . . . . 61.3 111.061 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.5 m -114.48 121.89 44.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.302 -0.863 . . . . 71.24 110.09 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.574 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -82.36 120.77 25.84 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 116.2 -0.455 . . . . 63.04 111.032 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -84.68 -7.38 59.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.431 -0.804 . . . . 53.54 112.347 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -72.91 -24.83 60.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.455 0.302 . . . . 63.24 111.142 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -139.72 1.39 1.9 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.737 -0.665 . . . . 40.32 111.231 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.38 46.72 14.89 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.876 0.87 . . . . 71.41 111.431 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -128.52 161.67 29.03 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.4 -0.818 . . . . 74.43 111.629 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 125.43 33.51 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.731 -0.668 . . . . 73.51 111.018 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 86.6 mttt -133.66 159.9 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.87 -0.604 . . . . 71.31 111.06 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.5 143.51 26.93 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.039 -0.528 . . . . 62.43 110.871 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -93.28 -42.47 9.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.046 -0.525 . . . . 74.42 111.171 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 p -99.73 142.08 31.69 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.401 0.438 . . . . 72.25 110.997 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -127.38 -42.7 1.65 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.838 -0.619 . . . . 65.25 111.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 123.876 0.87 . . . . 62.42 112.237 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.509 -0.236 . . . . 64.33 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -96.33 148.57 22.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.38 0.272 . . . . 74.14 110.993 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.5 127.73 46.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.877 -0.601 . . . . 62.13 110.637 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.47 141.01 15.37 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.931 -0.577 . . . . 73.01 112.692 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.56 159.13 25.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.826 0.45 . . . . 50.52 111.356 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.79 12.46 12.66 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.483 -0.781 . . . . 24.33 112.463 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -88.68 152.96 21.48 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 122.758 0.423 . . . . 75.51 110.934 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 131.58 35.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.545 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -107.95 150.36 27.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.64 -0.709 . . . . 73.21 110.792 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.96 -57.15 0.45 Allowed Glycine 0 C--N 1.337 0.593 0 O-C-N 123.563 0.539 . . . . 65.43 112.59 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -96.28 153.34 17.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.385 0.274 . . . . 74.14 110.956 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.74 94.85 9.21 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.244 0.545 . . . . 73.2 110.681 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -143.0 -41.91 0.31 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.422 -0.808 . . . . 51.43 110.892 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.4 tt -125.99 144.49 50.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.087 -0.506 . . . . 74.35 110.52 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.7 t80 -95.18 133.25 39.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 71.42 110.271 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.37 138.52 37.7 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.105 -0.498 . . . . 62.45 111.965 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.2 m -70.38 -28.87 65.44 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.603 -0.726 . . . . 64.54 112.453 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t -91.71 -28.65 17.3 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.364 0.415 . . . . 73.13 111.679 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.16 -27.98 7.1 Favored Glycine 0 C--N 1.342 0.909 0 O-C-N 123.333 0.396 . . . . 74.21 113.688 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -90.12 120.53 31.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.969 0.414 . . . . 61.3 111.461 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.11 122.38 47.39 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.153 -0.931 . . . . 71.24 110.585 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.81 120.94 31.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.819 -0.628 . . . . 63.04 110.824 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 p -85.48 -9.33 57.6 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.41 -0.813 . . . . 53.54 112.259 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -76.2 -19.92 57.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.523 0.329 . . . . 63.24 111.134 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -136.05 -0.47 2.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.736 -0.665 . . . . 40.32 111.232 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.57 39.32 24.89 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.78 0.832 . . . . 71.41 111.769 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 19.4 p -139.09 160.7 39.16 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.604 -0.725 . . . . 74.43 111.323 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 134.74 34.21 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.116 -0.493 . . . . 73.51 111.558 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 89.9 mttt -132.91 163.86 28.22 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.494 -0.775 . . . . 71.31 110.968 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.6 128.23 35.57 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.777 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -93.37 141.93 27.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.035 -0.53 . . . . 74.42 110.847 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -127.69 133.93 49.59 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.858 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.3 m -127.74 142.08 51.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.82 -0.627 . . . . 65.25 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.183 -0.913 . . . . 62.42 111.173 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.533 -0.227 . . . . 64.33 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -96.31 154.42 17.27 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.361 0.264 . . . . 74.14 111.053 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 t -125.47 155.52 40.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.908 -0.587 . . . . 62.13 110.762 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 169.83 31.56 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 115.816 -0.629 . . . . 73.01 112.939 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.8 159.86 15.2 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.182 -0.437 . . . . 50.52 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.25 13.04 37.25 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.684 -0.689 . . . . 24.33 112.251 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 153.64 22.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.073 0.549 . . . . 75.51 111.694 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m -77.07 125.44 29.32 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.727 -0.669 . . . . 75.12 111.048 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.2 m -96.84 152.62 18.51 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 73.21 111.401 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.23 -152.57 12.94 Favored Glycine 0 C--N 1.34 0.759 0 CA-C-N 115.84 -0.618 . . . . 65.43 112.532 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -101.53 -44.55 5.56 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.607 0.239 . . . . 74.14 111.218 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.67 0.9 56.68 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.374 0.421 . . . . 73.2 111.397 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -92.52 173.25 7.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.089 -0.505 . . . . 51.43 111.214 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -71.97 158.51 35.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.827 0.451 . . . . 74.35 111.845 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.619 ' H ' HD23 ' A' ' 15' ' ' LEU . 87.8 m-85 -75.64 153.44 37.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.066 -0.515 . . . . 71.42 111.778 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -97.81 138.33 35.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.68 -0.691 . . . . 62.45 111.709 -179.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.18 -19.01 30.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.676 -0.693 . . . . 64.54 111.956 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -86.37 -28.44 23.61 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.964 0.357 . . . . 73.13 111.964 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.02 -39.53 2.91 Favored Glycine 0 C--N 1.34 0.785 0 C-N-CA 121.366 -0.445 . . . . 74.21 113.439 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 40.6 t80 -92.08 116.86 29.3 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.074 0.464 . . . . 61.3 111.674 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.0 m -114.55 120.22 39.45 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.003 -0.999 . . . . 71.24 109.984 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.2 127.94 33.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.007 -0.542 . . . . 63.04 110.831 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.7 m -83.9 -9.23 58.88 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.941 0.776 . . . . 53.54 112.352 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.0 -22.8 60.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.472 0.309 . . . . 63.24 111.081 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 p -139.43 -1.01 1.73 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.598 -0.728 . . . . 40.32 111.153 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.8 mttt 57.16 46.6 18.65 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.867 0.867 . . . . 71.41 111.513 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -140.92 163.94 31.6 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.633 -0.712 . . . . 74.43 111.956 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 132.71 38.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.855 -0.611 . . . . 73.51 111.872 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 21' ' ' PHE . 23.4 mttm -136.24 161.98 34.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.477 -0.783 . . . . 71.31 110.934 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.55 142.88 27.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.088 -0.505 . . . . 62.43 111.0 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -94.67 -41.66 9.17 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.069 -0.514 . . . . 74.42 111.075 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -99.94 137.72 38.01 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.398 0.436 . . . . 72.25 110.914 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -100.86 145.31 28.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.947 -0.57 . . . . 65.25 110.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.549 -0.739 . . . . 62.42 111.097 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.548 -0.221 . . . . 64.33 112.548 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -96.32 144.08 26.81 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.343 0.257 . . . . 74.14 110.917 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 t -113.15 146.91 38.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.058 -0.519 . . . . 62.13 110.755 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.93 136.81 13.7 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.855 -0.611 . . . . 73.01 112.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -84.43 154.85 22.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.78 0.432 . . . . 50.52 111.314 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.72 9.67 18.4 Favored Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.463 -0.789 . . . . 24.33 112.427 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.81 153.21 18.41 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.827 0.451 . . . . 75.51 110.892 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.72 121.62 22.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 75.12 111.345 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.73 128.92 53.98 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.687 -0.688 . . . . 73.21 110.767 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.28 -47.42 0.23 Allowed Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.871 -0.604 . . . . 65.43 112.645 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -93.34 152.8 18.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.507 0.323 . . . . 74.14 110.889 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tt -93.31 94.18 8.61 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.18 0.514 . . . . 73.2 110.713 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -144.7 -43.56 0.24 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.483 -0.781 . . . . 51.43 110.892 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -130.48 149.11 52.3 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.493 0.496 . . . . 74.35 110.772 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' H ' HD23 ' A' ' 15' ' ' LEU . 9.9 t80 -93.06 152.47 19.26 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.042 -0.526 . . . . 71.42 110.843 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.83 138.76 33.02 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.851 -0.613 . . . . 62.45 111.408 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.7 m -74.57 -28.21 60.83 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.833 -0.621 . . . . 64.54 112.298 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 p -93.07 -28.85 16.1 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.266 0.354 . . . . 73.13 111.925 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.9 -20.35 20.54 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 121.543 -0.36 . . . . 74.21 113.82 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -90.58 122.56 33.49 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.948 0.404 . . . . 61.3 111.404 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 m -114.15 121.63 44.35 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.214 -0.903 . . . . 71.24 110.568 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.5 122.82 33.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.838 -0.619 . . . . 63.04 110.793 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 p -86.12 -7.33 58.66 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.568 -0.742 . . . . 53.54 112.361 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -75.47 -21.81 57.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.486 0.314 . . . . 63.24 111.188 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.85 0.25 1.97 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.762 -0.654 . . . . 40.32 111.263 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 58.3 45.88 16.4 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.829 0.852 . . . . 71.41 111.566 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 p -140.07 160.3 40.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.411 -0.813 . . . . 74.43 111.337 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 130.95 34.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.226 -0.443 . . . . 73.51 111.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -130.89 162.8 28.85 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.486 -0.779 . . . . 71.31 111.145 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.31 124.94 34.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.999 -0.546 . . . . 62.43 110.589 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -92.54 -45.52 8.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.119 -0.492 . . . . 74.42 111.541 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 m -101.73 136.91 40.78 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 m -102.13 144.27 30.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.928 -0.578 . . . . 65.25 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.131 -0.937 . . . . 62.42 111.107 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.479 -0.248 . . . . 64.33 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -96.24 152.81 18.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.336 0.255 . . . . 74.14 111.158 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -101.91 126.13 48.75 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.896 -0.593 . . . . 62.13 109.692 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.56 4.65 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 116.054 -0.521 . . . . 73.01 113.287 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.09 154.95 17.8 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 122.797 0.439 . . . . 50.52 111.008 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.72 8.18 21.05 Favored Glycine 0 C--N 1.337 0.593 0 CA-C-N 115.622 -0.717 . . . . 24.33 112.755 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.8 153.4 19.16 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.603 0.361 . . . . 75.51 110.978 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 119.88 24.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.985 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -107.13 116.06 31.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.742 -0.663 . . . . 73.21 110.599 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.76 -49.46 0.57 Allowed Glycine 0 C--N 1.338 0.657 0 CA-C-N 115.927 -0.579 . . . . 65.43 112.951 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.38 -40.88 11.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.366 0.266 . . . . 74.14 111.646 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.08 147.7 22.63 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.384 0.427 . . . . 73.2 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -95.16 85.33 4.28 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.311 0.577 . . . . 51.43 111.105 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -144.83 139.51 27.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.316 -0.856 . . . . 74.35 110.025 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -94.46 157.02 16.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.75 -0.659 . . . . 71.42 111.208 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -83.9 138.59 33.09 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.702 -0.681 . . . . 62.45 111.714 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.2 -31.9 70.59 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.793 -0.639 . . . . 64.54 112.007 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 p -96.89 -28.07 14.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.038 -0.528 . . . . 73.13 111.083 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . 100.84 45.5 1.91 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.051 -0.522 . . . . 74.21 113.334 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.0 t80 -143.46 113.69 7.34 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.065 0.46 . . . . 61.3 111.428 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.4 111.12 20.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.262 -0.881 . . . . 71.24 109.801 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 26' ' ' THR . 0.3 OUTLIER -77.79 119.64 21.58 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.949 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -84.42 -35.62 22.96 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.06 0.763 . . . . 53.54 113.06 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -37.8 82.97 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.58 0.229 . . . . 63.24 111.197 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 23' ' ' ASP . 71.2 p -98.32 -10.99 23.02 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.774 -0.648 . . . . 40.32 111.146 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 57.1 43.34 24.37 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 71.41 111.796 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -145.18 160.86 40.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.567 -0.742 . . . . 74.43 111.452 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 131.86 34.32 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.931 -0.577 . . . . 73.51 111.05 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 92.8 mttt -137.46 175.0 9.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.946 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -88.8 151.4 22.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.795 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -92.73 -42.54 9.53 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.073 -0.512 . . . . 74.42 111.028 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.8 m -99.58 143.38 29.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.94 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 t -99.58 -42.96 6.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.929 -0.578 . . . . 65.25 111.138 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.132 -0.937 . . . . 62.42 111.104 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.459 -0.256 . . . . 64.33 112.459 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.29 149.3 21.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.617 0.245 . . . . 74.14 110.979 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 16' ' ' TYR . 34.7 t -129.07 140.68 51.49 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.889 -0.596 . . . . 62.13 110.668 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.02 170.97 22.12 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 115.652 -0.704 . . . . 73.01 112.503 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.79 158.56 16.27 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.133 -0.461 . . . . 50.52 110.763 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.0 12.51 15.73 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.421 -0.809 . . . . 24.33 112.434 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.57 153.07 20.61 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.771 0.428 . . . . 75.51 110.991 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.486 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -80.08 134.01 36.15 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.932 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.7 t -104.39 145.11 30.73 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.869 -0.605 . . . . 73.21 111.039 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.37 -152.06 6.35 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.799 -0.637 . . . . 65.43 112.534 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.55 -41.25 6.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.275 0.23 . . . . 74.14 111.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.36 6.21 47.76 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 123.342 0.401 . . . . 73.2 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 9' ' ' THR . 75.9 mtt180 -92.99 171.56 8.87 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.134 -0.485 . . . . 51.43 111.115 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.84 170.48 15.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.868 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.618 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 88.3 m-85 -90.99 153.02 20.46 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 71.42 111.145 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.2 m -104.68 139.4 39.56 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 62.45 111.228 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.2 m -52.8 -31.36 38.27 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.463 0.912 . . . . 64.54 113.463 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t -85.46 -29.04 24.63 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.867 0.321 . . . . 73.13 111.867 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.31 24.72 67.67 Favored Glycine 0 C--N 1.342 0.868 0 O-C-N 123.382 0.427 . . . . 74.21 113.971 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -127.99 120.04 26.73 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.99 0.424 . . . . 61.3 110.969 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.5 m -114.19 119.69 37.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.176 -0.92 . . . . 71.24 110.373 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.16 123.51 32.27 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.905 -0.589 . . . . 63.04 110.767 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.31 -7.47 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.509 -0.769 . . . . 53.54 112.449 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -73.47 -24.26 60.18 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 122.456 0.302 . . . . 63.24 111.108 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -139.96 1.33 1.85 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.685 -0.688 . . . . 40.32 111.169 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 tttt 57.91 44.03 20.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.898 0.879 . . . . 71.41 111.248 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -135.95 160.1 39.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.529 -0.759 . . . . 74.43 111.691 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 m -82.06 130.92 35.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.45 -0.795 . . . . 73.51 111.701 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -132.76 163.29 29.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.463 -0.79 . . . . 71.31 110.933 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.58 125.44 34.8 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.166 -0.47 . . . . 62.43 110.862 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -96.87 144.07 27.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.885 -0.598 . . . . 74.42 110.728 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -127.85 144.45 51.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.912 -0.585 . . . . 72.25 110.701 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 p -124.89 134.92 52.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.959 -0.564 . . . . 65.25 110.983 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.521 -0.752 . . . . 62.42 111.106 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.484 -0.247 . . . . 64.33 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -96.4 154.4 17.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.301 0.24 . . . . 74.14 110.953 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -115.98 142.86 46.22 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.023 -0.535 . . . . 62.13 110.308 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.43 132.8 11.39 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.99 -0.55 . . . . 73.01 112.861 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -87.58 159.43 18.58 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.674 0.389 . . . . 50.52 111.263 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.56 12.69 12.66 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 115.599 -0.728 . . . . 24.33 112.729 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.82 152.79 21.1 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.632 0.373 . . . . 75.51 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 140.67 29.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.029 -0.532 . . . . 75.12 111.146 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 75.3 m -108.05 148.45 29.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 73.21 110.877 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.72 -61.06 0.28 Allowed Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.875 -0.602 . . . . 65.43 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -98.15 153.31 18.54 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.686 0.286 . . . . 74.14 110.871 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.47 99.18 11.71 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.079 -0.51 . . . . 73.2 111.174 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -142.8 -47.71 0.32 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.424 -0.807 . . . . 51.43 110.532 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -135.66 137.33 41.72 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 116.015 -0.539 . . . . 74.35 110.241 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -94.89 153.89 17.48 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.676 -0.693 . . . . 71.42 110.768 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.5 m -90.16 139.12 30.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.968 -0.56 . . . . 62.45 111.416 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.8 m -56.19 -26.35 50.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.195 0.813 . . . . 64.54 113.195 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -91.11 -29.01 17.54 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.068 0.23 . . . . 73.13 111.606 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.78 51.36 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.156 0.423 . . . . 74.21 114.156 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 20.7 t80 -136.9 121.05 17.85 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.892 0.377 . . . . 61.3 111.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 m -114.04 117.44 31.3 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 71.24 110.625 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -89.07 124.81 34.65 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.818 -0.628 . . . . 63.04 110.65 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 m -83.29 -7.24 59.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.589 -0.732 . . . . 53.54 112.473 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -73.36 -25.34 60.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.456 0.302 . . . . 63.24 111.122 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 p -139.46 1.49 1.96 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.801 -0.636 . . . . 40.32 111.206 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.22 46.17 16.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.875 0.87 . . . . 71.41 111.433 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.4 p -141.34 158.1 44.32 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.45 -0.795 . . . . 74.43 111.527 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 17.6 m -80.62 132.49 35.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.595 -0.729 . . . . 73.51 111.686 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 87.5 mttt -131.33 166.85 20.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.443 -0.799 . . . . 71.31 111.059 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.37 140.35 29.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 62.43 110.629 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -90.95 149.75 21.75 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.439 0.462 . . . . 74.42 111.241 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 t -99.33 -42.6 6.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.861 -0.609 . . . . 72.25 111.151 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -116.23 144.84 43.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.894 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.053 -0.975 . . . . 62.42 111.074 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.537 -0.225 . . . . 64.33 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -96.3 151.1 19.84 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.66 0.271 . . . . 74.14 111.072 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 134.4 51.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.787 -0.642 . . . . 62.13 110.104 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 137.83 14.11 Favored Glycine 0 C--N 1.337 0.594 0 O-C-N 123.605 0.566 . . . . 73.01 112.892 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.99 154.61 18.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 122.569 0.348 . . . . 50.52 111.232 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 7.21 44.51 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.623 -0.717 . . . . 24.33 112.544 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' THR . . . -98.66 153.19 18.88 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.757 0.423 . . . . 75.51 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -76.01 121.34 22.6 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.957 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.6 t -98.08 127.4 44.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.762 -0.654 . . . . 73.21 111.035 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.5 -122.54 4.85 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.719 -0.673 . . . . 65.43 112.317 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.04 -53.02 1.21 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.539 0.199 . . . . 74.14 110.99 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -142.4 77.2 1.57 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.27 0.557 . . . . 73.2 110.866 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.68 -58.69 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.578 -0.737 . . . . 51.43 110.525 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -149.68 136.28 19.27 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.832 0.453 . . . . 74.35 110.241 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -98.48 143.45 28.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.651 -0.704 . . . . 71.42 110.307 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.2 138.91 31.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.982 -0.554 . . . . 62.45 111.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -19.27 61.49 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.1 0.778 . . . . 64.54 113.1 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -87.96 -28.74 21.28 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.279 0.362 . . . . 73.13 111.708 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.25 60.26 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 123.377 0.423 . . . . 74.21 113.954 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.588 ' HB3' ' O ' ' A' ' 30' ' ' LYS . 28.4 t80 -95.71 116.92 29.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.963 0.411 . . . . 61.3 111.327 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.6 m -114.99 111.57 21.34 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.264 -0.88 . . . . 71.24 110.275 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -81.93 120.36 25.12 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.112 -0.494 . . . . 63.04 110.977 179.493 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -85.92 -7.91 58.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.527 -0.76 . . . . 53.54 112.269 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -77.68 -22.23 50.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.463 0.305 . . . . 63.24 111.106 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -138.76 1.38 2.09 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.866 -0.606 . . . . 40.32 111.286 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 9' ' ' THR . 97.6 mttt 58.43 42.13 21.72 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.791 0.837 . . . . 71.41 111.625 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 20.7 p -137.72 154.18 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.449 -0.796 . . . . 74.43 111.605 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.43 138.22 32.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.485 -0.78 . . . . 73.51 111.545 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 21' ' ' PHE . 94.2 mttt -137.57 178.01 7.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.681 -0.69 . . . . 71.31 110.827 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.54 145.08 25.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.33 -0.396 . . . . 62.43 110.631 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -89.95 -40.21 12.51 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.057 -0.52 . . . . 74.42 111.289 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.9 m -97.7 129.88 44.72 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.412 0.445 . . . . 72.25 110.961 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 t -127.74 146.71 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.796 -0.638 . . . . 65.25 110.718 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.091 -0.957 . . . . 62.42 111.129 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.561 -0.215 . . . . 64.33 112.561 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -96.27 141.6 29.42 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.645 0.262 . . . . 74.14 110.991 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.17 151.68 37.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.974 -0.557 . . . . 62.13 110.672 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -86.05 159.76 32.99 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-N 115.952 -0.567 . . . . 73.01 113.155 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.11 160.27 18.62 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.089 -0.481 . . . . 50.52 111.031 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.0 12.52 15.71 Favored Glycine 0 CA--C 1.522 0.523 0 CA-C-N 115.42 -0.809 . . . . 24.33 112.413 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.23 153.41 18.07 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 122.812 0.445 . . . . 75.51 111.144 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -74.3 124.76 27.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.041 -0.527 . . . . 75.12 111.2 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.4 m -96.48 138.64 33.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.874 -0.603 . . . . 73.21 111.035 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.22 -152.49 9.36 Favored Glycine 0 C--N 1.338 0.673 0 O-C-N 123.661 0.6 . . . . 65.43 112.582 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.46 -40.67 6.59 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.64 0.259 . . . . 74.14 111.257 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.66 -1.7 54.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.557 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.46 174.49 7.35 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.198 -0.455 . . . . 51.43 111.193 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 16' ' ' TYR . 1.3 tt -72.01 151.65 43.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.21 -0.45 . . . . 74.35 111.276 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.581 ' N ' HD23 ' A' ' 15' ' ' LEU . 10.1 t80 -71.82 151.6 43.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.115 -0.493 . . . . 71.42 111.204 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.73 137.96 35.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.798 -0.637 . . . . 62.45 111.959 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -9.98 39.76 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.502 -0.772 . . . . 64.54 111.597 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 t -89.45 -28.65 19.56 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.307 0.379 . . . . 73.13 111.56 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -40.98 2.59 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 121.401 -0.428 . . . . 74.21 113.631 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -92.05 117.01 29.43 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.165 0.507 . . . . 61.3 111.827 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -114.2 119.43 37.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.994 -1.003 . . . . 71.24 110.15 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 121.14 27.0 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.886 -0.597 . . . . 63.04 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.8 m -84.66 -10.05 57.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.437 -0.801 . . . . 53.54 112.231 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.09 -19.83 59.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.473 0.309 . . . . 63.24 111.095 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -136.54 -0.83 2.35 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.666 -0.697 . . . . 40.32 111.169 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 9' ' ' THR . 58.0 mmtt 58.95 37.23 24.67 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.868 0.867 . . . . 71.41 111.728 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 p -136.26 161.77 34.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 74.43 111.432 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 136.83 34.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.156 -0.474 . . . . 73.51 112.056 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -136.13 162.09 33.9 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.405 -0.816 . . . . 71.31 111.073 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.51 127.8 35.54 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.149 -0.478 . . . . 62.43 110.93 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -94.24 -43.22 8.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.949 -0.568 . . . . 74.42 111.126 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 m -104.94 140.73 37.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.327 -0.397 . . . . 72.25 110.967 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.3 p -104.0 141.03 36.9 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.629 0.581 . . . . 65.25 110.951 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.511 -0.757 . . . . 62.42 111.072 -179.998 . . . . . . . . 0 0 . 1 stop_ save_